4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol (CAS 1119471-76-9) is a chemical compound with molecular formula C19H15N5O2S and molecular weight 377.09 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-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol, 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione, 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C19H15N5O2S |
|---|---|
| Molecular Weight | 377.09 g/mol |
| LogP | 3.75819 |
| Topological Polar Surface Area | 80.75 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 377.09464 |
| Heavy Atoms | 27 |
| Complexity | 1162.3192 |
Chemical Identifiers
| CAS Number | 1119471-76-9 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)C4=CC(=NN4)C5=CC=CC=C5 |
Product Overview
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol (CAS 1119471-76-9), with molecular formula C19H15N5O2S and molecular weight 377.09 g/mol. IUPAC: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-phenyl-1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.75819 indicates that 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-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 80.75 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is 1119471-76-9.
What is the molecular formula of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is C19H15N5O2S.
What is the molecular weight of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol is 377.09 g/mol.
Where can I buy 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-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 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-phenyl-1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.