2-((2-(4-Pyridyl)methyl)thio)benzimidazole
TL;DR: 2-((2-(4-Pyridyl)methyl)thio)benzimidazole (CAS 27033-68-7) is a chemical compound with molecular formula C13H11N3S and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(pyridin-4-ylmethylsulfanyl)-1H-benzimidazole
Also Known As: 2-((2-(4-Pyridyl)methyl)thio)benzimidazole, Sid 770400, 2-(pyridin-4-ylmethylsulfanyl)-1H-benzimidazole, 2-(4-pyridylmethylthio)benzimidazole, H-718
| Molecular Formula | C13H11N3S |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.06737 |
| Heavy Atoms | 17 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 27033-68-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC3=CC=NC=C3 |
| InChIKey | GGTXQYUQXAYWLY-UHFFFAOYSA-N |
Product Overview
2-((2-(4-Pyridyl)methyl)thio)benzimidazole (CAS 27033-68-7), with molecular formula C13H11N3S and molecular weight 241.07 g/mol. IUPAC: 2-(pyridin-4-ylmethylsulfanyl)-1H-benzimidazole.
Chemical Property Profile of 2-((2-(4-Pyridyl)methyl)thio)benzimidazole
Property Insights of 2-((2-(4-Pyridyl)methyl)thio)benzimidazole
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2-(4-Pyridyl)methyl)thio)benzimidazole. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2-(4-Pyridyl)methyl)thio)benzimidazole. Following Lipinski's Rule of Five, 2-((2-(4-Pyridyl)methyl)thio)benzimidazole has 1 hydrogen bond donor(s) and 3 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-((2-(4-Pyridyl)methyl)thio)benzimidazole?
The CAS number of 2-((2-(4-Pyridyl)methyl)thio)benzimidazole is 27033-68-7.
What is the molecular formula of 2-((2-(4-Pyridyl)methyl)thio)benzimidazole?
The molecular formula of 2-((2-(4-Pyridyl)methyl)thio)benzimidazole is C13H11N3S.
What is the molecular weight of 2-((2-(4-Pyridyl)methyl)thio)benzimidazole?
The molecular weight of 2-((2-(4-Pyridyl)methyl)thio)benzimidazole is 241.07 g/mol.
Where can I buy 2-((2-(4-Pyridyl)methyl)thio)benzimidazole?
You can request a quote for 2-((2-(4-Pyridyl)methyl)thio)benzimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2-(4-Pyridyl)methyl)thio)benzimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-(4-Pyridyl)methyl)thio)benzimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.