![Benzotriazol-1-yl-[2-(4-nitrophenyl)sulfonylphenyl]methanone structure](/static/products/6927/692768-61-9.webp)
Benzotriazol-1-yl-[2-(4-nitrophenyl)sulfonylphenyl]methanone
TL;DR: Benzotriazol-1-yl-[2-(4-nitrophenyl)sulfonylphenyl]methanone (CAS 692768-61-9) is a chemical compound with molecular formula C19H12N4O5S and molecular weight 408.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-yl-[2-(4-nitrophenyl)sulfonylphenyl]methanone
Also Known As: benzotriazol-1-yl-[2-(4-nitrophenyl)sulfonylphenyl]methanone, benzotriazolyl 2-[(4-nitrophenyl)sulfonyl]phenyl ketone, 1H-benzotriazol-1-yl{2-[(4-nitrophenyl)sulfonyl]phenyl}methanone, 1H-1,2,3-BENZOTRIAZOL-1-YL{2-[(4-NITROPHENYL)SULFONYL]PHENYL}METHANONE
| Molecular Formula | C19H12N4O5S |
|---|---|
| Molecular Weight | 408.05 g/mol |
| LogP | 2.8608 |
| Topological Polar Surface Area | 125.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.05283 |
| Heavy Atoms | 29 |
| Complexity | 1360.8956 |
Chemical Identifiers
| CAS Number | 692768-61-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)N2C3=CC=CC=C3N=N2)S(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
Benzotriazol-1-yl-[2-(4-nitrophenyl)sulfonylphenyl]methanone (CAS 692768-61-9), with molecular formula C19H12N4O5S and molecular weight 408.05 g/mol. IUPAC: benzotriazol-1-yl-[2-(4-nitrophenyl)sulfonylphenyl]methanone.
Chemical Property Profile of Benzotriazol-1-yl-[2-(4-nitrophenyl)sulfonylphenyl]methanone
Property Insights of Benzotriazol-1-yl-[2-(4-nitrophenyl)sulfonylphenyl]methanone
The XLogP value of 2.8608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzotriazol-1-yl-[2-(4-nitrophenyl)sulfonylphenyl]methanone. The TPSA of 125.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzotriazol-1-yl-[2-(4-nitrophenyl)sulfonylphenyl]methanone. Following Lipinski's Rule of Five, Benzotriazol-1-yl-[2-(4-nitrophenyl)sulfonylphenyl]methanone has 0 hydrogen bond donor(s) and 7 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-(4-nitrophenyl)sulfonylphenyl]methanone?
The CAS number of Benzotriazol-1-yl-[2-(4-nitrophenyl)sulfonylphenyl]methanone is 692768-61-9.
What is the molecular formula of Benzotriazol-1-yl-[2-(4-nitrophenyl)sulfonylphenyl]methanone?
The molecular formula of Benzotriazol-1-yl-[2-(4-nitrophenyl)sulfonylphenyl]methanone is C19H12N4O5S.
What is the molecular weight of Benzotriazol-1-yl-[2-(4-nitrophenyl)sulfonylphenyl]methanone?
The molecular weight of Benzotriazol-1-yl-[2-(4-nitrophenyl)sulfonylphenyl]methanone is 408.05 g/mol.
Where can I buy Benzotriazol-1-yl-[2-(4-nitrophenyl)sulfonylphenyl]methanone?
You can request a quote for Benzotriazol-1-yl-[2-(4-nitrophenyl)sulfonylphenyl]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-(4-nitrophenyl)sulfonylphenyl]methanone?
Yes, KEHONG BIO provides custom synthesis services for Benzotriazol-1-yl-[2-(4-nitrophenyl)sulfonylphenyl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.