5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 893777-55-4) is a chemical compound with molecular formula C15H14N4O2S and molecular weight 314.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4-dimethoxyphenyl)-4-pyridin-3-yl-1H-1,2,4-triazole-5-thione
Also Known As: 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol, A4129/0176060, 5-(3,4-dimethoxyphenyl)-4-(3-pyridyl)-1,2,4-triazole-3-thiol, 3-(3,4-dimethoxyphenyl)-4-pyridin-3-yl-1H-1,2,4-triazole-5-thione, 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C15H14N4O2S |
|---|---|
| Molecular Weight | 314.08 g/mol |
| LogP | 3.00909 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.08374 |
| Heavy Atoms | 22 |
| Complexity | 842.24884 |
Chemical Identifiers
| CAS Number | 893777-55-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NNC(=S)N2C3=CN=CC=C3)OC |
Product Overview
5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol (CAS 893777-55-4), with molecular formula C15H14N4O2S and molecular weight 314.08 g/mol. IUPAC: 3-(3,4-dimethoxyphenyl)-4-pyridin-3-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.00909 indicates that 5-(3,4-dimethoxyphenyl)-4-(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 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(3,4-dimethoxyphenyl)-4-(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 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol is 893777-55-4.
What is the molecular formula of 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol is C15H14N4O2S.
What is the molecular weight of 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol is 314.08 g/mol.
Where can I buy 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(3,4-dimethoxyphenyl)-4-(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 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-dimethoxyphenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.