![1-((3-nitrophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole structure](/static/products/1091/1091-86-7.webp)
1-((3-nitrophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole
TL;DR: 1-((3-nitrophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole (CAS 1091-86-7) is a chemical compound with molecular formula C12H8N4O4S and molecular weight 304.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitrophenyl)sulfonylbenzotriazole
Also Known As: 1-(3-nitrophenyl)sulfonylbenzotriazole, 1-[(3-Nitrophenyl)sulfonyl]-1H-benzotriazole, 1-(benzotriazolylsulfonyl)-3-nitrobenzene, 1-((3-nitrophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole, 1-(3-Nitrobenzene-1-sulfonyl)-1H-benzotriazole
| Molecular Formula | C12H8N4O4S |
|---|---|
| Molecular Weight | 304.03 g/mol |
| LogP | 1.5765 |
| Topological Polar Surface Area | 107.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.0266 |
| Heavy Atoms | 21 |
| Complexity | 948.55566 |
Chemical Identifiers
| CAS Number | 1091-86-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-] |
Product Overview
1-((3-nitrophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole (CAS 1091-86-7), with molecular formula C12H8N4O4S and molecular weight 304.03 g/mol. IUPAC: 1-(3-nitrophenyl)sulfonylbenzotriazole.
Chemical Property Profile of 1-((3-nitrophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole
Property Insights of 1-((3-nitrophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole
The XLogP value of 1.5765 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((3-nitrophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole. The TPSA of 107.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((3-nitrophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole. Following Lipinski's Rule of Five, 1-((3-nitrophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole 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 1-((3-nitrophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole?
The CAS number of 1-((3-nitrophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole is 1091-86-7.
What is the molecular formula of 1-((3-nitrophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole?
The molecular formula of 1-((3-nitrophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole is C12H8N4O4S.
What is the molecular weight of 1-((3-nitrophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole?
The molecular weight of 1-((3-nitrophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole is 304.03 g/mol.
Where can I buy 1-((3-nitrophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole?
You can request a quote for 1-((3-nitrophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((3-nitrophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-((3-nitrophenyl)sulfonyl)-1H-benzo[d][1,2,3]triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.