![4-(benzo[d][1,3]dioxol-5-yl)-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol structure](/static/products/893/893773-21-2.png)
4-(benzo[d][1,3]dioxol-5-yl)-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol (CAS 893773-21-2) is a chemical compound with molecular formula C15H10BrN3O2S and molecular weight 374.97 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-bromophenyl)-1H-1,2,4-triazole-5-thione
Also Known As: A4102/0174909, 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol, 4-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-1H-1,2,4-triazole-5-thione, 4-(1,3-benzodioxol-5-yl)-5-(4-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-(1,3-BENZODIOXOL-5-YL)-5-(4-BROMOPHENYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C15H10BrN3O2S |
|---|---|
| Molecular Weight | 374.97 g/mol |
| LogP | 4.08809 |
| Topological Polar Surface Area | 52.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.9677 |
| Heavy Atoms | 22 |
| Complexity | 901.8962 |
Chemical Identifiers
| CAS Number | 893773-21-2 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)C4=CC=C(C=C4)Br |
Product Overview
4-(benzo[d][1,3]dioxol-5-yl)-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol (CAS 893773-21-2), with molecular formula C15H10BrN3O2S and molecular weight 374.97 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-3-(4-bromophenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.08809 indicates that 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.07 Ų, 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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-bromophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol is 893773-21-2.
What is the molecular formula of 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol is C15H10BrN3O2S.
What is the molecular weight of 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol is 374.97 g/mol.
Where can I buy 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-bromophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(benzo[d][1,3]dioxol-5-yl)-5-(4-bromophenyl)-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-bromophenyl)-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-bromophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.