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2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione structure
Fine Chemical

2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione

TL;DR: 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione (CAS 385387-33-7) is a chemical compound with molecular formula C23H13F3N4O2 and molecular weight 434.09906 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-(benzotriazol-1-yl)-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione

Also Known As: 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione, F1273-0027, 2-(1H-1,2,3-benzotriazol-1-yl)-3-{[3-(trifluoromethyl)phenyl]amino}-1,4-dihydronaphthalene-1,4-dione, 2-(benzotriazol-1-yl)-3-[3-(trifluoromethyl)anilino]naphthalene-1,4-dione, 2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-3-[3-(TRIFLUOROMETHYL)ANILINO]NAPHTHOQUINONE

CAS Number
385387-33-7
Molecular Formula
C23H13F3N4O2
Molecular Weight
434.09906 g/mol
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Technical Specifications

Molecular FormulaC23H13F3N4O2
Molecular Weight434.09906 g/mol
XLogP5.1
Topological Polar Surface Area (TPSA)76.9 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors8
Rotatable Bonds3
Exact Mass434.09906 Da
Heavy Atoms32
Complexity799.0
SMILESC1=CC=C2C(=C1)C(=O)C(=C(C2=O)N3C4=CC=CC=C4N=N3)NC5=CC=CC(=C5)C(F)(F)F
InChIKeyLXADAEFMDHKHSL-UHFFFAOYSA-N

Chemical Property Profile of 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione

XLogP
5.1
TPSA (Topological Polar Surface Area)
76.9
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
8
Rotatable Bonds
3
Heavy Atoms
32
Complexity
799.0
Exact Mass
434.09906
Monoisotopic Mass
434.09906
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-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione

The XLogP value of 5.1 indicates that 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione. Following Lipinski's Rule of Five, 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione has 1 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-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione?

The CAS number of 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione is 385387-33-7.

What is the molecular formula of 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione?

The molecular formula of 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione is C23H13F3N4O2.

What is the molecular weight of 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione?

The molecular weight of 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione is 434.09906 g/mol.

Where can I buy 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione?

You can request a quote for 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione?

Yes, CoreyChem provides custom synthesis services for 2-(1H-benzo[d][1,2,3]triazol-1-yl)-3-((3-(trifluoromethyl)phenyl)amino)naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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