2-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-butyric acid
TL;DR: 2-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-butyric acid (CAS 696601-79-3) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanoic acid
Also Known As: 2-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-butyric acid, 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanoic acid, BAS 05307941, 2-((6-Methyl-1H-benzo[d]imidazol-2-yl)thio)butanoic acid, 2-(6-methylbenzimidazol-2-ylthio)butanoic acid
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 2.82662 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 550.42926 |
Chemical Identifiers
| CAS Number | 696601-79-3 |
|---|---|
| SMILES | CCC(C(=O)O)SC1=NC2=C(N1)C=C(C=C2)C |
Product Overview
2-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-butyric acid (CAS 696601-79-3), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]butanoic acid.
Chemical Property Profile of 2-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-butyric acid
Property Insights of 2-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-butyric acid
The XLogP value of 2.82662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-butyric acid. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-butyric acid. Following Lipinski's Rule of Five, 2-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-butyric acid has 2 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-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-butyric acid?
The CAS number of 2-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-butyric acid is 696601-79-3.
What is the molecular formula of 2-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-butyric acid?
The molecular formula of 2-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-butyric acid is C12H14N2O2S.
What is the molecular weight of 2-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-butyric acid?
The molecular weight of 2-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-butyric acid is 250.08 g/mol.
Where can I buy 2-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-butyric acid?
You can request a quote for 2-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Methyl-1H-benzoimidazol-2-ylsulfanyl)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.