4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
TL;DR: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione (CAS 704873-79-0) is a chemical compound with molecular formula C15H12N4O2S and molecular weight 312.07 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-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Also Known As: A3683/0156235, 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione, 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-(2,3-DIHYDRO-1,4-BENZODIOXIN-6-YL)-5-(4-PYRIDYL)-4H-1,2,4-TRIAZOL-3-YLHYDROSULFIDE
| Molecular Formula | C15H12N4O2S |
|---|---|
| Molecular Weight | 312.07 g/mol |
| LogP | 2.76309 |
| Topological Polar Surface Area | 64.96 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 312.06808 |
| Heavy Atoms | 22 |
| Complexity | 872.749 |
Chemical Identifiers
| CAS Number | 704873-79-0 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)C4=CC=NC=C4 |
Product Overview
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione (CAS 704873-79-0), with molecular formula C15H12N4O2S and molecular weight 312.07 g/mol. IUPAC: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Property Insights of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
The XLogP value of 2.76309 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione. The TPSA of 64.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione 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 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is 704873-79-0.
What is the molecular formula of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is C15H12N4O2S.
What is the molecular weight of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is 312.07 g/mol.
Where can I buy 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione 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)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.