![2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole structure](/static/products/6766/676623-60-2.webp)
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole
TL;DR: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole (CAS 676623-60-2) is a chemical compound with molecular formula C17H16N6S and molecular weight 336.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole
Also Known As: 2-({[4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole, 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole, 2-(((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-benzo[d]imidazole, 2-({[4-ethyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}methyl)-1H-benzimidazole, 2-({[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-benzimidazole
| Molecular Formula | C17H16N6S |
|---|---|
| Molecular Weight | 336.12 g/mol |
| LogP | 3.5286 |
| Topological Polar Surface Area | 72.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.11572 |
| Heavy Atoms | 24 |
| Complexity | 926.5531 |
Chemical Identifiers
| CAS Number | 676623-60-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=NC3=CC=CC=C3N2)C4=CC=NC=C4 |
Product Overview
2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole (CAS 676623-60-2), with molecular formula C17H16N6S and molecular weight 336.12 g/mol. IUPAC: 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole.
Chemical Property Profile of 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole
Property Insights of 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole
The XLogP value of 3.5286 indicates that 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole. Following Lipinski's Rule of Five, 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole 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 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole?
The CAS number of 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole is 676623-60-2.
What is the molecular formula of 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole?
The molecular formula of 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole is C17H16N6S.
What is the molecular weight of 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole?
The molecular weight of 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole is 336.12 g/mol.
Where can I buy 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole?
You can request a quote for 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.