![4-(benzo[d][1,3]dioxol-5-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol structure](/static/products/893/893772-05-9.png)
4-(benzo[d][1,3]dioxol-5-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol (CAS 893772-05-9) is a chemical compound with molecular formula C17H15N3O3S and molecular weight 341.08 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-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: A4089/0174319, 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-yl)-3-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione, 4-(1,3-benzodioxol-5-yl)-5-(4-methoxybenzyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-(1,3-BENZODIOXOL-5-YL)-5-(4-METHOXYBENZYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C17H15N3O3S |
|---|---|
| Molecular Weight | 341.08 g/mol |
| LogP | 3.25799 |
| Topological Polar Surface Area | 61.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.0834 |
| Heavy Atoms | 24 |
| Complexity | 930.99896 |
Chemical Identifiers
| CAS Number | 893772-05-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2=NNC(=S)N2C3=CC4=C(C=C3)OCO4 |
Product Overview
4-(benzo[d][1,3]dioxol-5-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol (CAS 893772-05-9), with molecular formula C17H15N3O3S and molecular weight 341.08 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-3-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.25799 indicates that 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-methoxybenzyl)-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-(benzo[d][1,3]dioxol-5-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol is 893772-05-9.
What is the molecular formula of 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol is C17H15N3O3S.
What is the molecular weight of 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol is 341.08 g/mol.
Where can I buy 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-methoxybenzyl)-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-(benzo[d][1,3]dioxol-5-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-methoxybenzyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.