4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
TL;DR: 4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione (CAS 728035-13-0) is a chemical compound with molecular formula C17H15N3O4S and molecular weight 357.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione, A3877/0164765, 4-Benzo[1,3]dioxol-5-yl-5-(3,5-dimethoxy-phenyl)-4H-[1,2,4]triazole-3-thiol, 4-(1,3-benzodioxol-5-yl)-5-(3,5-dimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-(1,3-benzodioxol-5-yl)-5-(3,5-dimethoxyphenyl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C17H15N3O4S |
|---|---|
| Molecular Weight | 357.08 g/mol |
| LogP | 3.34279 |
| Topological Polar Surface Area | 70.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.07834 |
| Heavy Atoms | 25 |
| Complexity | 973.5483 |
Chemical Identifiers
| CAS Number | 728035-13-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C2=NNC(=S)N2C3=CC4=C(C=C3)OCO4)OC |
Product Overview
4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione (CAS 728035-13-0), with molecular formula C17H15N3O4S and molecular weight 357.08 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
Property Insights of 4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione
The XLogP value of 3.34279 indicates that 4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione 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-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione 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-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione is 728035-13-0.
What is the molecular formula of 4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione is C17H15N3O4S.
What is the molecular weight of 4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione is 357.08 g/mol.
Where can I buy 4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(1,3-benzodioxol-5-yl)-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.