4,5-Bis(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiol
TL;DR: 4,5-Bis(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiol (CAS 864544-39-8) is a chemical compound with molecular formula C18H19N3O4S and molecular weight 373.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-bis(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4,5-bis(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiol, A4144/0176553, 3,4-bis(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione, 4,5-bis(3,4-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol, BIS(3,4-DIMETHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
| Molecular Formula | C18H19N3O4S |
|---|---|
| Molecular Weight | 373.11 g/mol |
| LogP | 3.63129 |
| Topological Polar Surface Area | 70.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.10962 |
| Heavy Atoms | 26 |
| Complexity | 980.8078 |
Chemical Identifiers
| CAS Number | 864544-39-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NNC(=S)N2C3=CC(=C(C=C3)OC)OC)OC |
Product Overview
4,5-Bis(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiol (CAS 864544-39-8), with molecular formula C18H19N3O4S and molecular weight 373.11 g/mol. IUPAC: 3,4-bis(3,4-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4,5-Bis(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiol
Property Insights of 4,5-Bis(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiol
The XLogP value of 3.63129 indicates that 4,5-Bis(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Bis(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4,5-Bis(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 6 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 4,5-Bis(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiol?
The CAS number of 4,5-Bis(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiol is 864544-39-8.
What is the molecular formula of 4,5-Bis(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiol?
The molecular formula of 4,5-Bis(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiol is C18H19N3O4S.
What is the molecular weight of 4,5-Bis(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiol?
The molecular weight of 4,5-Bis(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiol is 373.11 g/mol.
Where can I buy 4,5-Bis(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiol?
You can request a quote for 4,5-Bis(3,4-dimethoxyphenyl)-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 4,5-Bis(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Bis(3,4-dimethoxyphenyl)-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.