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Benzotriazol-1-yl-[2-(2-nitrophenyl)sulfanylphenyl]methanone
TL;DR: Benzotriazol-1-yl-[2-(2-nitrophenyl)sulfanylphenyl]methanone (CAS 516468-40-9) is a chemical compound with molecular formula C19H12N4O3S and molecular weight 376.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-yl-[2-(2-nitrophenyl)sulfanylphenyl]methanone
Also Known As: benzotriazol-1-yl-[2-(2-nitrophenyl)sulfanylphenyl]methanone, 1H-benzotriazol-1-yl{2-[(2-nitrophenyl)sulfanyl]phenyl}methanone, (1H-benzo[d][1,2,3]triazol-1-yl)(2-((2-nitrophenyl)thio)phenyl)methanone
| Molecular Formula | C19H12N4O3S |
|---|---|
| Molecular Weight | 376.06 g/mol |
| LogP | 4.1792 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.06302 |
| Heavy Atoms | 27 |
| Complexity | 1172.3134 |
Chemical Identifiers
| CAS Number | 516468-40-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)N2C3=CC=CC=C3N=N2)SC4=CC=CC=C4[N+](=O)[O-] |
Product Overview
Benzotriazol-1-yl-[2-(2-nitrophenyl)sulfanylphenyl]methanone (CAS 516468-40-9), with molecular formula C19H12N4O3S and molecular weight 376.06 g/mol. IUPAC: benzotriazol-1-yl-[2-(2-nitrophenyl)sulfanylphenyl]methanone.
Chemical Property Profile of Benzotriazol-1-yl-[2-(2-nitrophenyl)sulfanylphenyl]methanone
Property Insights of Benzotriazol-1-yl-[2-(2-nitrophenyl)sulfanylphenyl]methanone
The XLogP value of 4.1792 indicates that Benzotriazol-1-yl-[2-(2-nitrophenyl)sulfanylphenyl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzotriazol-1-yl-[2-(2-nitrophenyl)sulfanylphenyl]methanone. Following Lipinski's Rule of Five, Benzotriazol-1-yl-[2-(2-nitrophenyl)sulfanylphenyl]methanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzotriazol-1-yl-[2-(2-nitrophenyl)sulfanylphenyl]methanone?
The CAS number of Benzotriazol-1-yl-[2-(2-nitrophenyl)sulfanylphenyl]methanone is 516468-40-9.
What is the molecular formula of Benzotriazol-1-yl-[2-(2-nitrophenyl)sulfanylphenyl]methanone?
The molecular formula of Benzotriazol-1-yl-[2-(2-nitrophenyl)sulfanylphenyl]methanone is C19H12N4O3S.
What is the molecular weight of Benzotriazol-1-yl-[2-(2-nitrophenyl)sulfanylphenyl]methanone?
The molecular weight of Benzotriazol-1-yl-[2-(2-nitrophenyl)sulfanylphenyl]methanone is 376.06 g/mol.
Where can I buy Benzotriazol-1-yl-[2-(2-nitrophenyl)sulfanylphenyl]methanone?
You can request a quote for Benzotriazol-1-yl-[2-(2-nitrophenyl)sulfanylphenyl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzotriazol-1-yl-[2-(2-nitrophenyl)sulfanylphenyl]methanone?
Yes, KEHONG BIO provides custom synthesis services for Benzotriazol-1-yl-[2-(2-nitrophenyl)sulfanylphenyl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.