3,5-dichloro-1-(4-nitrobenzyl)-1H-1,2,4-triazole
TL;DR: 3,5-dichloro-1-(4-nitrobenzyl)-1H-1,2,4-triazole (CAS 727386-71-2) is a chemical compound with molecular formula C9H6Cl2N4O2 and molecular weight 271.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dichloro-1-[(4-nitrophenyl)methyl]-1,2,4-triazole
Also Known As: 3,5-dichloro-1-(4-nitrobenzyl)-1H-1,2,4-triazole, 3,5-dichloro-1-[(4-nitrophenyl)methyl]-1,2,4-triazole, A3872/0164519, 1H-1,2,4-Triazole, 3,5-dichloro-1-[(4-nitrophenyl)methyl]-
| Molecular Formula | C9H6Cl2N4O2 |
|---|---|
| Molecular Weight | 271.99 g/mol |
| LogP | 2.5414 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.9868 |
| Heavy Atoms | 17 |
| Complexity | 552.62354 |
Chemical Identifiers
| CAS Number | 727386-71-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CN2C(=NC(=N2)Cl)Cl)[N+](=O)[O-] |
Product Overview
3,5-dichloro-1-(4-nitrobenzyl)-1H-1,2,4-triazole (CAS 727386-71-2), with molecular formula C9H6Cl2N4O2 and molecular weight 271.99 g/mol. IUPAC: 3,5-dichloro-1-[(4-nitrophenyl)methyl]-1,2,4-triazole.
Chemical Property Profile of 3,5-dichloro-1-(4-nitrobenzyl)-1H-1,2,4-triazole
Property Insights of 3,5-dichloro-1-(4-nitrobenzyl)-1H-1,2,4-triazole
The XLogP value of 2.5414 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dichloro-1-(4-nitrobenzyl)-1H-1,2,4-triazole. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dichloro-1-(4-nitrobenzyl)-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 3,5-dichloro-1-(4-nitrobenzyl)-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 3,5-dichloro-1-(4-nitrobenzyl)-1H-1,2,4-triazole?
The CAS number of 3,5-dichloro-1-(4-nitrobenzyl)-1H-1,2,4-triazole is 727386-71-2.
What is the molecular formula of 3,5-dichloro-1-(4-nitrobenzyl)-1H-1,2,4-triazole?
The molecular formula of 3,5-dichloro-1-(4-nitrobenzyl)-1H-1,2,4-triazole is C9H6Cl2N4O2.
What is the molecular weight of 3,5-dichloro-1-(4-nitrobenzyl)-1H-1,2,4-triazole?
The molecular weight of 3,5-dichloro-1-(4-nitrobenzyl)-1H-1,2,4-triazole is 271.99 g/mol.
Where can I buy 3,5-dichloro-1-(4-nitrobenzyl)-1H-1,2,4-triazole?
You can request a quote for 3,5-dichloro-1-(4-nitrobenzyl)-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 3,5-dichloro-1-(4-nitrobenzyl)-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dichloro-1-(4-nitrobenzyl)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.