![5-bromo-3-nitro-1-[2-(phenylsulfonyl)ethyl]-1H-1,2,4-triazole structure](/static/products/727/727386-66-5.png)
5-bromo-3-nitro-1-[2-(phenylsulfonyl)ethyl]-1H-1,2,4-triazole
TL;DR: 5-bromo-3-nitro-1-[2-(phenylsulfonyl)ethyl]-1H-1,2,4-triazole (CAS 727386-66-5) is a chemical compound with molecular formula C10H9BrN4O4S and molecular weight 359.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(benzenesulfonyl)ethyl]-5-bromo-3-nitro-1,2,4-triazole
Also Known As: 5-bromo-3-nitro-1-[2-(phenylsulfonyl)ethyl]-1H-1,2,4-triazole, AP-853/41543839, 1-[2-(benzenesulfonyl)ethyl]-5-bromo-3-nitro-1,2,4-triazole, 5-bromo-3-nitro-1-(2-(phenylsulfonyl)ethyl)-1H-1,2,4-triazole
| Molecular Formula | C10H9BrN4O4S |
|---|---|
| Molecular Weight | 359.95 g/mol |
| LogP | 1.4227 |
| Topological Polar Surface Area | 107.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 359.9528 |
| Heavy Atoms | 20 |
| Complexity | 728.9708 |
Chemical Identifiers
| CAS Number | 727386-66-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CCN2C(=NC(=N2)[N+](=O)[O-])Br |
Product Overview
5-bromo-3-nitro-1-[2-(phenylsulfonyl)ethyl]-1H-1,2,4-triazole (CAS 727386-66-5), with molecular formula C10H9BrN4O4S and molecular weight 359.95 g/mol. IUPAC: 1-[2-(benzenesulfonyl)ethyl]-5-bromo-3-nitro-1,2,4-triazole.
Chemical Property Profile of 5-bromo-3-nitro-1-[2-(phenylsulfonyl)ethyl]-1H-1,2,4-triazole
Property Insights of 5-bromo-3-nitro-1-[2-(phenylsulfonyl)ethyl]-1H-1,2,4-triazole
The XLogP value of 1.4227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromo-3-nitro-1-[2-(phenylsulfonyl)ethyl]-1H-1,2,4-triazole. The TPSA of 107.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-bromo-3-nitro-1-[2-(phenylsulfonyl)ethyl]-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 5-bromo-3-nitro-1-[2-(phenylsulfonyl)ethyl]-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 5-bromo-3-nitro-1-[2-(phenylsulfonyl)ethyl]-1H-1,2,4-triazole?
The CAS number of 5-bromo-3-nitro-1-[2-(phenylsulfonyl)ethyl]-1H-1,2,4-triazole is 727386-66-5.
What is the molecular formula of 5-bromo-3-nitro-1-[2-(phenylsulfonyl)ethyl]-1H-1,2,4-triazole?
The molecular formula of 5-bromo-3-nitro-1-[2-(phenylsulfonyl)ethyl]-1H-1,2,4-triazole is C10H9BrN4O4S.
What is the molecular weight of 5-bromo-3-nitro-1-[2-(phenylsulfonyl)ethyl]-1H-1,2,4-triazole?
The molecular weight of 5-bromo-3-nitro-1-[2-(phenylsulfonyl)ethyl]-1H-1,2,4-triazole is 359.95 g/mol.
Where can I buy 5-bromo-3-nitro-1-[2-(phenylsulfonyl)ethyl]-1H-1,2,4-triazole?
You can request a quote for 5-bromo-3-nitro-1-[2-(phenylsulfonyl)ethyl]-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 5-bromo-3-nitro-1-[2-(phenylsulfonyl)ethyl]-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-3-nitro-1-[2-(phenylsulfonyl)ethyl]-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.