s-Triazole, 3-(4-chloro-o-tolyl)-5-(m-methoxyphenyl)-
TL;DR: s-Triazole, 3-(4-chloro-o-tolyl)-5-(m-methoxyphenyl)- (CAS 75318-76-2) is a chemical compound with molecular formula C16H14ClN3O and molecular weight 299.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
Also Known As: s-Triazole, 3-(4-chloro-o-tolyl)-5-(m-methoxyphenyl)-, 3- -5- -1H-1,2,4-triazole, 3-(4-Chloro-o-tolyl)-5-(m-methoxyphenyl)-s-triazole, 3-(4-chloro-2-methylphenyl)-5-(3-methoxyphenyl)-1H-1,2,4-triazole, 5-(4-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole
| Molecular Formula | C16H14ClN3O |
|---|---|
| Molecular Weight | 299.08 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.08255 |
| Heavy Atoms | 21 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 75318-76-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)C2=NC(=NN2)C3=CC(=CC=C3)OC |
| InChIKey | JQVCKQSNWIUGRF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
s-Triazole, 3-(4-chloro-o-tolyl)-5-(m-methoxyphenyl)- (CAS 75318-76-2), with molecular formula C16H14ClN3O and molecular weight 299.08 g/mol. IUPAC: 5-(4-chloro-2-methylphenyl)-3-(3-methoxyphenyl)-1H-1,2,4-triazole.
Chemical Property Profile of s-Triazole, 3-(4-chloro-o-tolyl)-5-(m-methoxyphenyl)-
Property Insights of s-Triazole, 3-(4-chloro-o-tolyl)-5-(m-methoxyphenyl)-
The XLogP value of 4.3 indicates that s-Triazole, 3-(4-chloro-o-tolyl)-5-(m-methoxyphenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.8 Ų, s-Triazole, 3-(4-chloro-o-tolyl)-5-(m-methoxyphenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, s-Triazole, 3-(4-chloro-o-tolyl)-5-(m-methoxyphenyl)- has 1 hydrogen bond donor(s) and 3 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 s-Triazole, 3-(4-chloro-o-tolyl)-5-(m-methoxyphenyl)-?
The CAS number of s-Triazole, 3-(4-chloro-o-tolyl)-5-(m-methoxyphenyl)- is 75318-76-2.
What is the molecular formula of s-Triazole, 3-(4-chloro-o-tolyl)-5-(m-methoxyphenyl)-?
The molecular formula of s-Triazole, 3-(4-chloro-o-tolyl)-5-(m-methoxyphenyl)- is C16H14ClN3O.
What is the molecular weight of s-Triazole, 3-(4-chloro-o-tolyl)-5-(m-methoxyphenyl)-?
The molecular weight of s-Triazole, 3-(4-chloro-o-tolyl)-5-(m-methoxyphenyl)- is 299.08 g/mol.
Where can I buy s-Triazole, 3-(4-chloro-o-tolyl)-5-(m-methoxyphenyl)-?
You can request a quote for s-Triazole, 3-(4-chloro-o-tolyl)-5-(m-methoxyphenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Triazole, 3-(4-chloro-o-tolyl)-5-(m-methoxyphenyl)-?
Yes, KEHONG BIO provides custom synthesis services for s-Triazole, 3-(4-chloro-o-tolyl)-5-(m-methoxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.