![2-[(1-Methyl-1H-benzimidazol-2-yl)thio]-butanoic acid structure](/static/products/854/854855-87-1.png)
2-[(1-Methyl-1H-benzimidazol-2-yl)thio]-butanoic acid
TL;DR: 2-[(1-Methyl-1H-benzimidazol-2-yl)thio]-butanoic acid (CAS 854855-87-1) 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-(1-methylbenzimidazol-2-yl)sulfanylbutanoic acid
Also Known As: 2-[(1-Methyl-1H-benzimidazol-2-yl)thio]-butanoic acid, 0780AF, 2-(1-methylbenzimidazol-2-yl)sulfanylbutanoic acid, 2-((1-Methyl-1H-benzo[d]imidazol-2-yl)thio)butanoic acid, 2-(1-methylbenzoimidazol-2-yl)sulfanylbutanoic Acid
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 2.5286 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 550.42926 |
Chemical Identifiers
| CAS Number | 854855-87-1 |
|---|---|
| SMILES | CCC(C(=O)O)SC1=NC2=CC=CC=C2N1C |
Product Overview
2-[(1-Methyl-1H-benzimidazol-2-yl)thio]-butanoic acid (CAS 854855-87-1), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: 2-(1-methylbenzimidazol-2-yl)sulfanylbutanoic acid.
Chemical Property Profile of 2-[(1-Methyl-1H-benzimidazol-2-yl)thio]-butanoic acid
Property Insights of 2-[(1-Methyl-1H-benzimidazol-2-yl)thio]-butanoic acid
The XLogP value of 2.5286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(1-Methyl-1H-benzimidazol-2-yl)thio]-butanoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 2-[(1-Methyl-1H-benzimidazol-2-yl)thio]-butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(1-Methyl-1H-benzimidazol-2-yl)thio]-butanoic acid 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-[(1-Methyl-1H-benzimidazol-2-yl)thio]-butanoic acid?
The CAS number of 2-[(1-Methyl-1H-benzimidazol-2-yl)thio]-butanoic acid is 854855-87-1.
What is the molecular formula of 2-[(1-Methyl-1H-benzimidazol-2-yl)thio]-butanoic acid?
The molecular formula of 2-[(1-Methyl-1H-benzimidazol-2-yl)thio]-butanoic acid is C12H14N2O2S.
What is the molecular weight of 2-[(1-Methyl-1H-benzimidazol-2-yl)thio]-butanoic acid?
The molecular weight of 2-[(1-Methyl-1H-benzimidazol-2-yl)thio]-butanoic acid is 250.08 g/mol.
Where can I buy 2-[(1-Methyl-1H-benzimidazol-2-yl)thio]-butanoic acid?
You can request a quote for 2-[(1-Methyl-1H-benzimidazol-2-yl)thio]-butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(1-Methyl-1H-benzimidazol-2-yl)thio]-butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(1-Methyl-1H-benzimidazol-2-yl)thio]-butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.