4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 517870-02-9) is a chemical compound with molecular formula C15H13ClN4O2S and molecular weight 348.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chloro-2,5-dimethoxyphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol, A3486/0147832, 4-(4-chloro-2,5-dimethoxyphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione, 4-(4-CHLORO-2,5-DIMETHOXYPHENYL)-5-(3-PYRIDYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE, 4-(4-chloro-2,5-dimethoxyphenyl)-5-pyridin-3-yl-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C15H13ClN4O2S |
|---|---|
| Molecular Weight | 348.04 g/mol |
| LogP | 3.66249 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.04477 |
| Heavy Atoms | 23 |
| Complexity | 892.2377 |
Chemical Identifiers
| CAS Number | 517870-02-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1N2C(=NNC2=S)C3=CN=CC=C3)OC)Cl |
Product Overview
4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 517870-02-9), with molecular formula C15H13ClN4O2S and molecular weight 348.04 g/mol. IUPAC: 4-(4-chloro-2,5-dimethoxyphenyl)-3-pyridin-3-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.66249 indicates that 4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 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 4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol is 517870-02-9.
What is the molecular formula of 4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol is C15H13ClN4O2S.
What is the molecular weight of 4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol is 348.04 g/mol.
Where can I buy 4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chloro-2,5-dimethoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.