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(S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate structure
Fine Chemical

(S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate

TL;DR: (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate (CAS 956241-01-3) is a chemical compound with molecular formula C25H25NO6 and molecular weight 435.16818 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate

Also Known As: (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate, (3-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl) (2S)-2-(phenylmethoxycarbonylamino)propanoate, 3-METHYL-6-OXO-6H,7H,8H,9H,10H-CYCLOHEXA[C]CHROMEN-1-YL 2-{[(BENZYLOXY)CARBONYL]AMINO}PROPANOATE, 3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl N-[(benzyloxy)carbonyl]-L-alaninate

CAS Number
956241-01-3
Molecular Formula
C25H25NO6
Molecular Weight
435.16818 g/mol
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Technical Specifications

Molecular FormulaC25H25NO6
Molecular Weight435.16818 g/mol
XLogP4.6
Topological Polar Surface Area (TPSA)90.9 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors6
Rotatable Bonds7
Exact Mass435.16818 Da
Heavy Atoms32
Complexity756.0
SMILESCC1=CC2=C(C3=C(CCCC3)C(=O)O2)C(=C1)OC(=O)[C@H](C)NC(=O)OCC4=CC=CC=C4
InChIKeyZRVMDRCXMJXGOO-INIZCTEOSA-N

Chemical Property Profile of (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate

XLogP
4.6
TPSA (Topological Polar Surface Area)
90.9
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
6
Rotatable Bonds
7
Heavy Atoms
32
Complexity
756.0
Exact Mass
435.16818
Monoisotopic Mass
435.16818
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 (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate

The XLogP value of 4.6 indicates that (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate. Following Lipinski's Rule of Five, (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate?

The CAS number of (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate is 956241-01-3.

What is the molecular formula of (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate?

The molecular formula of (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate is C25H25NO6.

What is the molecular weight of (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate?

The molecular weight of (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate is 435.16818 g/mol.

Where can I buy (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate?

You can request a quote for (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate?

Yes, CoreyChem provides custom synthesis services for (S)-3-methyl-6-oxo-7,8,9,10-tetrahydro-6H-benzo[c]chromen-1-yl 2-(((benzyloxy)carbonyl)amino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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