3-(4-Chloro-o-tolyl)-5-phenyl-s-triazole
TL;DR: 3-(4-Chloro-o-tolyl)-5-phenyl-s-triazole (CAS 85303-94-2) is a chemical compound with molecular formula C15H12ClN3 and molecular weight 269.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chloro-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole
Also Known As: 3-(4-Chloro-o-tolyl)-5-phenyl-s-triazole, 3- -5-phenyl-1H-1,2,4-triazole, s-Triazole, 3-(4-chloro-o-tolyl)-5-phenyl-, 3-(4-Chloro-2-methylphenyl)-5-phenyl-s-triazole, 3-(4-Chloro-2-methylphenyl)-5-phenyl-1H-1,2,4-triazole
| Molecular Formula | C15H12ClN3 |
|---|---|
| Molecular Weight | 269.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.07196 |
| Heavy Atoms | 19 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 85303-94-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)C2=NC(=NN2)C3=CC=CC=C3 |
| InChIKey | LGVUPKLKXKOWAC-UHFFFAOYSA-N |
Product Overview
3-(4-Chloro-o-tolyl)-5-phenyl-s-triazole (CAS 85303-94-2), with molecular formula C15H12ClN3 and molecular weight 269.07 g/mol. IUPAC: 5-(4-chloro-2-methylphenyl)-3-phenyl-1H-1,2,4-triazole.
Chemical Property Profile of 3-(4-Chloro-o-tolyl)-5-phenyl-s-triazole
Property Insights of 3-(4-Chloro-o-tolyl)-5-phenyl-s-triazole
The XLogP value of 4.3 indicates that 3-(4-Chloro-o-tolyl)-5-phenyl-s-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, 3-(4-Chloro-o-tolyl)-5-phenyl-s-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chloro-o-tolyl)-5-phenyl-s-triazole has 1 hydrogen bond donor(s) and 2 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-(4-Chloro-o-tolyl)-5-phenyl-s-triazole?
The CAS number of 3-(4-Chloro-o-tolyl)-5-phenyl-s-triazole is 85303-94-2.
What is the molecular formula of 3-(4-Chloro-o-tolyl)-5-phenyl-s-triazole?
The molecular formula of 3-(4-Chloro-o-tolyl)-5-phenyl-s-triazole is C15H12ClN3.
What is the molecular weight of 3-(4-Chloro-o-tolyl)-5-phenyl-s-triazole?
The molecular weight of 3-(4-Chloro-o-tolyl)-5-phenyl-s-triazole is 269.07 g/mol.
Where can I buy 3-(4-Chloro-o-tolyl)-5-phenyl-s-triazole?
You can request a quote for 3-(4-Chloro-o-tolyl)-5-phenyl-s-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chloro-o-tolyl)-5-phenyl-s-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chloro-o-tolyl)-5-phenyl-s-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.