5-bromo-1-(4-chlorobenzyl)-3-nitro-1H-1,2,4-triazole
TL;DR: 5-bromo-1-(4-chlorobenzyl)-3-nitro-1H-1,2,4-triazole (CAS 919425-52-8) is a chemical compound with molecular formula C9H6BrClN4O2 and molecular weight 315.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-1-[(4-chlorophenyl)methyl]-3-nitro-1,2,4-triazole
Also Known As: 5-bromo-1-(4-chlorobenzyl)-3-nitro-1H-1,2,4-triazole, 5-bromo-1-[(4-chlorophenyl)methyl]-3-nitro-1,2,4-triazole, AP-853/41861668, 5-Bromo-1-(4-chloro-benzyl)-3-nitro-1H-[1,2,4]triazole, 5-BROMO-1-[(4-CHLOROPHENYL)METHYL]-3-NITRO-1H-1,2,4-TRIAZOLE
| Molecular Formula | C9H6BrClN4O2 |
|---|---|
| Molecular Weight | 315.94 g/mol |
| LogP | 2.6505 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.93628 |
| Heavy Atoms | 17 |
| Complexity | 554.62354 |
Chemical Identifiers
| CAS Number | 919425-52-8 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C(=NC(=N2)[N+](=O)[O-])Br)Cl |
Product Overview
5-bromo-1-(4-chlorobenzyl)-3-nitro-1H-1,2,4-triazole (CAS 919425-52-8), with molecular formula C9H6BrClN4O2 and molecular weight 315.94 g/mol. IUPAC: 5-bromo-1-[(4-chlorophenyl)methyl]-3-nitro-1,2,4-triazole.
Chemical Property Profile of 5-bromo-1-(4-chlorobenzyl)-3-nitro-1H-1,2,4-triazole
Property Insights of 5-bromo-1-(4-chlorobenzyl)-3-nitro-1H-1,2,4-triazole
The XLogP value of 2.6505 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-bromo-1-(4-chlorobenzyl)-3-nitro-1H-1,2,4-triazole. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-bromo-1-(4-chlorobenzyl)-3-nitro-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 5-bromo-1-(4-chlorobenzyl)-3-nitro-1H-1,2,4-triazole has 0 hydrogen bond donor(s) and 4 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-1-(4-chlorobenzyl)-3-nitro-1H-1,2,4-triazole?
The CAS number of 5-bromo-1-(4-chlorobenzyl)-3-nitro-1H-1,2,4-triazole is 919425-52-8.
What is the molecular formula of 5-bromo-1-(4-chlorobenzyl)-3-nitro-1H-1,2,4-triazole?
The molecular formula of 5-bromo-1-(4-chlorobenzyl)-3-nitro-1H-1,2,4-triazole is C9H6BrClN4O2.
What is the molecular weight of 5-bromo-1-(4-chlorobenzyl)-3-nitro-1H-1,2,4-triazole?
The molecular weight of 5-bromo-1-(4-chlorobenzyl)-3-nitro-1H-1,2,4-triazole is 315.94 g/mol.
Where can I buy 5-bromo-1-(4-chlorobenzyl)-3-nitro-1H-1,2,4-triazole?
You can request a quote for 5-bromo-1-(4-chlorobenzyl)-3-nitro-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-1-(4-chlorobenzyl)-3-nitro-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-1-(4-chlorobenzyl)-3-nitro-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.