![4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione structure](/static/products/728/728013-51-2.png)
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
TL;DR: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione (CAS 728013-51-2) is a chemical compound with molecular formula C23H18N6O2S and molecular weight 442.12 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-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
Also Known As: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione, A3841/0163117, 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(2-pyridinyl)-1-benzimidazolyl]methyl]-1H-1,2,4-triazole-5-thione, 4-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-5-(2-pyridin-2-yl-benzoimidazol-1-ylmethyl)-4H-[1,2,4]triazole-3-th iol, 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[[2-(2-pyridyl)benzimidazol-1-yl]methyl]-1H-1,2,4-triazole-5-thione
| Molecular Formula | C23H18N6O2S |
|---|---|
| Molecular Weight | 442.12 g/mol |
| LogP | 4.16109 |
| Topological Polar Surface Area | 82.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.1212 |
| Heavy Atoms | 32 |
| Complexity | 1487.7008 |
Chemical Identifiers
| CAS Number | 728013-51-2 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)N3C(=NNC3=S)CN4C5=CC=CC=C5N=C4C6=CC=CC=N6 |
Product Overview
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione (CAS 728013-51-2), with molecular formula C23H18N6O2S and molecular weight 442.12 g/mol. IUPAC: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
Property Insights of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione
The XLogP value of 4.16109 indicates that 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione has 1 hydrogen bond donor(s) and 6 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-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione is 728013-51-2.
What is the molecular formula of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione is C23H18N6O2S.
What is the molecular weight of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione is 442.12 g/mol.
Where can I buy 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-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-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-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-[(2-pyridin-2-ylbenzimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.