![2-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol structure](/static/products/893/893768-95-1.png)
2-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol
TL;DR: 2-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol (CAS 893768-95-1) is a chemical compound with molecular formula C15H11N3O3S and molecular weight 313.05 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-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: A4107/0175127, 2-(4-(benzo[d][1,3]dioxol-5-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)phenol, 2-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol, 2-[4-(2H-1,3-BENZODIOXOL-5-YL)-5-SULFANYL-4H-1,2,4-TRIAZOL-3-YL]PHENOL, 4-(1,3-benzodioxol-5-yl)-5-(2-hydroxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C15H11N3O3S |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 3.03119 |
| Topological Polar Surface Area | 72.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.05212 |
| Heavy Atoms | 22 |
| Complexity | 916.3913 |
Chemical Identifiers
| CAS Number | 893768-95-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)C4=CC=CC=C4O |
Product Overview
2-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol (CAS 893768-95-1), with molecular formula C15H11N3O3S and molecular weight 313.05 g/mol. IUPAC: 4-(1,3-benzodioxol-5-yl)-3-(2-hydroxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 2-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol
Property Insights of 2-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol
The XLogP value of 3.03119 indicates that 2-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol. Following Lipinski's Rule of Five, 2-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol has 2 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 2-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol?
The CAS number of 2-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol is 893768-95-1.
What is the molecular formula of 2-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol?
The molecular formula of 2-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol is C15H11N3O3S.
What is the molecular weight of 2-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol?
The molecular weight of 2-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol is 313.05 g/mol.
Where can I buy 2-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol?
You can request a quote for 2-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(1,3-benzodioxol-5-yl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.