![5-(benzo[d][1,3]dioxol-5-yl)-4-(quinolin-5-yl)-4H-1,2,4-triazole-3-thiol structure](/static/products/893/893767-55-0.png)
5-(benzo[d][1,3]dioxol-5-yl)-4-(quinolin-5-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-(benzo[d][1,3]dioxol-5-yl)-4-(quinolin-5-yl)-4H-1,2,4-triazole-3-thiol (CAS 893767-55-0) is a chemical compound with molecular formula C18H12N4O2S and molecular weight 348.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-4-quinolin-5-yl-1H-1,2,4-triazole-5-thione
Also Known As: A4104/0175003, 5-(benzo[d][1,3]dioxol-5-yl)-4-(quinolin-5-yl)-4H-1,2,4-triazole-3-thiol, 3-(1,3-benzodioxol-5-yl)-4-quinolin-5-yl-1H-1,2,4-triazole-5-thione, 5-(1,3-BENZODIOXOL-5-YL)-4-(5-QUINOLYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE, 5-(1,3-benzodioxol-5-yl)-4-(quinolin-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C18H12N4O2S |
|---|---|
| Molecular Weight | 348.07 g/mol |
| LogP | 3.87379 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.06808 |
| Heavy Atoms | 25 |
| Complexity | 1159.92 |
Chemical Identifiers
| CAS Number | 893767-55-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NNC(=S)N3C4=CC=CC5=C4C=CC=N5 |
Product Overview
5-(benzo[d][1,3]dioxol-5-yl)-4-(quinolin-5-yl)-4H-1,2,4-triazole-3-thiol (CAS 893767-55-0), with molecular formula C18H12N4O2S and molecular weight 348.07 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-4-quinolin-5-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 5-(benzo[d][1,3]dioxol-5-yl)-4-(quinolin-5-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-(benzo[d][1,3]dioxol-5-yl)-4-(quinolin-5-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.87379 indicates that 5-(benzo[d][1,3]dioxol-5-yl)-4-(quinolin-5-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-(benzo[d][1,3]dioxol-5-yl)-4-(quinolin-5-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 5-(benzo[d][1,3]dioxol-5-yl)-4-(quinolin-5-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-(benzo[d][1,3]dioxol-5-yl)-4-(quinolin-5-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-(benzo[d][1,3]dioxol-5-yl)-4-(quinolin-5-yl)-4H-1,2,4-triazole-3-thiol is 893767-55-0.
What is the molecular formula of 5-(benzo[d][1,3]dioxol-5-yl)-4-(quinolin-5-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-(benzo[d][1,3]dioxol-5-yl)-4-(quinolin-5-yl)-4H-1,2,4-triazole-3-thiol is C18H12N4O2S.
What is the molecular weight of 5-(benzo[d][1,3]dioxol-5-yl)-4-(quinolin-5-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-(benzo[d][1,3]dioxol-5-yl)-4-(quinolin-5-yl)-4H-1,2,4-triazole-3-thiol is 348.07 g/mol.
Where can I buy 5-(benzo[d][1,3]dioxol-5-yl)-4-(quinolin-5-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-(benzo[d][1,3]dioxol-5-yl)-4-(quinolin-5-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-(benzo[d][1,3]dioxol-5-yl)-4-(quinolin-5-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 5-(benzo[d][1,3]dioxol-5-yl)-4-(quinolin-5-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.