4-(2-methyl-1H-benzimidazol-1-yl)butanoic acid
TL;DR: 4-(2-methyl-1H-benzimidazol-1-yl)butanoic acid (CAS 115444-73-0) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylbenzimidazol-1-yl)butanoic acid
Also Known As: 4-(2-methyl-1H-benzimidazol-1-yl)butanoic acid, 4-(2-methylbenzimidazol-1-yl)butanoic acid, 4-(2-Methyl-benzoimidazol-1-yl)-butyric acid, 4-(2-methyl-1H-1,3-benzodiazol-1-yl)butanoic acid, 9567AC
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 2.20952 |
| Topological Polar Surface Area | 55.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 516.71313 |
Chemical Identifiers
| CAS Number | 115444-73-0 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2N1CCCC(=O)O |
Product Overview
4-(2-methyl-1H-benzimidazol-1-yl)butanoic acid (CAS 115444-73-0), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: 4-(2-methylbenzimidazol-1-yl)butanoic acid.
Chemical Property Profile of 4-(2-methyl-1H-benzimidazol-1-yl)butanoic acid
Property Insights of 4-(2-methyl-1H-benzimidazol-1-yl)butanoic acid
The XLogP value of 2.20952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-methyl-1H-benzimidazol-1-yl)butanoic acid. With a topological polar surface area (TPSA) of 55.12 Ų, 4-(2-methyl-1H-benzimidazol-1-yl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-methyl-1H-benzimidazol-1-yl)butanoic acid has 1 hydrogen bond donor(s) and 2 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-methyl-1H-benzimidazol-1-yl)butanoic acid?
The CAS number of 4-(2-methyl-1H-benzimidazol-1-yl)butanoic acid is 115444-73-0.
What is the molecular formula of 4-(2-methyl-1H-benzimidazol-1-yl)butanoic acid?
The molecular formula of 4-(2-methyl-1H-benzimidazol-1-yl)butanoic acid is C12H14N2O2.
What is the molecular weight of 4-(2-methyl-1H-benzimidazol-1-yl)butanoic acid?
The molecular weight of 4-(2-methyl-1H-benzimidazol-1-yl)butanoic acid is 218.11 g/mol.
Where can I buy 4-(2-methyl-1H-benzimidazol-1-yl)butanoic acid?
You can request a quote for 4-(2-methyl-1H-benzimidazol-1-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-methyl-1H-benzimidazol-1-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-methyl-1H-benzimidazol-1-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.