![4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)phenol structure](/static/products/879/879474-64-3.png)
4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)phenol
TL;DR: 4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)phenol (CAS 879474-64-3) is a chemical compound with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)phenol, 4-[4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-mercapto-4H-[1,2,4]triazol-3-yl]-phenol, 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(4-hydroxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one
| Molecular Formula | C16H13N3O3S |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | 3.07369 |
| Topological Polar Surface Area | 72.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.06775 |
| Heavy Atoms | 23 |
| Complexity | 915.06506 |
Chemical Identifiers
| CAS Number | 879474-64-3 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)C4=CC=C(C=C4)O |
Product Overview
4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)phenol (CAS 879474-64-3), with molecular formula C16H13N3O3S and molecular weight 327.07 g/mol. IUPAC: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(4-hydroxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)phenol
Property Insights of 4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)phenol
The XLogP value of 3.07369 indicates that 4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-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 4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)phenol. Following Lipinski's Rule of Five, 4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-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 4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)phenol?
The CAS number of 4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)phenol is 879474-64-3.
What is the molecular formula of 4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)phenol?
The molecular formula of 4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)phenol is C16H13N3O3S.
What is the molecular weight of 4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)phenol?
The molecular weight of 4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)phenol is 327.07 g/mol.
Where can I buy 4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)phenol?
You can request a quote for 4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-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 4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-mercapto-4H-1,2,4-triazol-3-yl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.