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2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide structure
Fine Chemical

2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide

TL;DR: 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide (CAS 370847-04-4) is a chemical compound with molecular formula C27H24F3N3O2S and molecular weight 511.15414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-[[3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide

Also Known As: 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide, 2-((3-cyano-5-oxo-4-(2-(trifluoromethyl)phenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)-N-(3,4-dimethylphenyl)acetamide, F1155-0313, 2-[[3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]-N-(3,4-dimethylphenyl)acetamide

CAS Number
370847-04-4
Molecular Formula
C27H24F3N3O2S
Molecular Weight
511.15414 g/mol
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Technical Specifications

Molecular FormulaC27H24F3N3O2S
Molecular Weight511.15414 g/mol
XLogP5.2
Topological Polar Surface Area (TPSA)107.0 Ų
Hydrogen Bond Donors2
Hydrogen Bond Acceptors8
Rotatable Bonds5
Exact Mass511.15414 Da
Heavy Atoms36
Complexity996.0
SMILESCC1=C(C=C(C=C1)NC(=O)CSC2=C(C(C3=C(N2)CCCC3=O)C4=CC=CC=C4C(F)(F)F)C#N)C
InChIKeyOVGJHVYMXOHOSJ-UHFFFAOYSA-N

Chemical Property Profile of 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide

XLogP
5.2
TPSA (Topological Polar Surface Area)
107.0
Hydrogen Bond Donors
2
Hydrogen Bond Acceptors
8
Rotatable Bonds
5
Heavy Atoms
36
Complexity
996.0
Exact Mass
511.15414
Monoisotopic Mass
511.15414
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide

The XLogP value of 5.2 indicates that 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide. Following Lipinski's Rule of Five, 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide?

The CAS number of 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide is 370847-04-4.

What is the molecular formula of 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide?

The molecular formula of 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide is C27H24F3N3O2S.

What is the molecular weight of 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide?

The molecular weight of 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide is 511.15414 g/mol.

Where can I buy 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide?

You can request a quote for 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide?

Yes, CoreyChem provides custom synthesis services for 2-({3-cyano-5-oxo-4-[2-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinolin-2-yl}sulfanyl)-N-(3,4-dimethylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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