1-((4-Nitrophenyl)sulfonyl)-1H-1,2,4-triazole
TL;DR: 1-((4-Nitrophenyl)sulfonyl)-1H-1,2,4-triazole (CAS 57777-84-1) is a chemical compound with molecular formula C8H6N4O4S and molecular weight 254.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-nitrophenyl)sulfonyl-1,2,4-triazole
Also Known As: 1-((4-Nitrophenyl)sulfonyl)-1H-1,2,4-triazole, 1-(4-Nitrobenzenesulfonyl)-1H-1,2,4-triazole, p-NBST, 1-(4-nitrophenyl)sulfonyl-1,2,4-triazole, 1- -1H-1,2,4-triazole
| Molecular Formula | C8H6N4O4S |
|---|---|
| Molecular Weight | 254.01 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.01097 |
| Heavy Atoms | 17 |
| Complexity | 379.0 |
Chemical Identifiers
| CAS Number | 57777-84-1 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)N2C=NC=N2 |
| InChIKey | HMNOLKQVFZCVIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-((4-Nitrophenyl)sulfonyl)-1H-1,2,4-triazole (CAS 57777-84-1), with molecular formula C8H6N4O4S and molecular weight 254.01 g/mol. IUPAC: 1-(4-nitrophenyl)sulfonyl-1,2,4-triazole.
Chemical Property Profile of 1-((4-Nitrophenyl)sulfonyl)-1H-1,2,4-triazole
Property Insights of 1-((4-Nitrophenyl)sulfonyl)-1H-1,2,4-triazole
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((4-Nitrophenyl)sulfonyl)-1H-1,2,4-triazole. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((4-Nitrophenyl)sulfonyl)-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 1-((4-Nitrophenyl)sulfonyl)-1H-1,2,4-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-((4-Nitrophenyl)sulfonyl)-1H-1,2,4-triazole?
The CAS number of 1-((4-Nitrophenyl)sulfonyl)-1H-1,2,4-triazole is 57777-84-1.
What is the molecular formula of 1-((4-Nitrophenyl)sulfonyl)-1H-1,2,4-triazole?
The molecular formula of 1-((4-Nitrophenyl)sulfonyl)-1H-1,2,4-triazole is C8H6N4O4S.
What is the molecular weight of 1-((4-Nitrophenyl)sulfonyl)-1H-1,2,4-triazole?
The molecular weight of 1-((4-Nitrophenyl)sulfonyl)-1H-1,2,4-triazole is 254.01 g/mol.
Where can I buy 1-((4-Nitrophenyl)sulfonyl)-1H-1,2,4-triazole?
You can request a quote for 1-((4-Nitrophenyl)sulfonyl)-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((4-Nitrophenyl)sulfonyl)-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-((4-Nitrophenyl)sulfonyl)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.