4-(2-Methyl-benzoimidazol-1-yl)-4-oxo-butyric acid
TL;DR: 4-(2-Methyl-benzoimidazol-1-yl)-4-oxo-butyric acid (CAS 305347-03-9) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-methylbenzimidazol-1-yl)-4-oxobutanoic acid
Also Known As: 4-(2-Methyl-benzoimidazol-1-yl)-4-oxo-butyric acid, BAS 01905987, 4-(2-methylbenzimidazol-1-yl)-4-oxobutanoic acid, 4-(2-methylbenzimidazolyl)-4-oxobutanoic acid, 4-(2-methyl-1h-benzimidazol-1-yl)-4-oxobutanoic acid
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.84972 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 586.4483 |
Chemical Identifiers
| CAS Number | 305347-03-9 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2N1C(=O)CCC(=O)O |
Product Overview
4-(2-Methyl-benzoimidazol-1-yl)-4-oxo-butyric acid (CAS 305347-03-9), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: 4-(2-methylbenzimidazol-1-yl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(2-Methyl-benzoimidazol-1-yl)-4-oxo-butyric acid
Property Insights of 4-(2-Methyl-benzoimidazol-1-yl)-4-oxo-butyric acid
The XLogP value of 1.84972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Methyl-benzoimidazol-1-yl)-4-oxo-butyric acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-Methyl-benzoimidazol-1-yl)-4-oxo-butyric acid. Following Lipinski's Rule of Five, 4-(2-Methyl-benzoimidazol-1-yl)-4-oxo-butyric 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 4-(2-Methyl-benzoimidazol-1-yl)-4-oxo-butyric acid?
The CAS number of 4-(2-Methyl-benzoimidazol-1-yl)-4-oxo-butyric acid is 305347-03-9.
What is the molecular formula of 4-(2-Methyl-benzoimidazol-1-yl)-4-oxo-butyric acid?
The molecular formula of 4-(2-Methyl-benzoimidazol-1-yl)-4-oxo-butyric acid is C12H12N2O3.
What is the molecular weight of 4-(2-Methyl-benzoimidazol-1-yl)-4-oxo-butyric acid?
The molecular weight of 4-(2-Methyl-benzoimidazol-1-yl)-4-oxo-butyric acid is 232.08 g/mol.
Where can I buy 4-(2-Methyl-benzoimidazol-1-yl)-4-oxo-butyric acid?
You can request a quote for 4-(2-Methyl-benzoimidazol-1-yl)-4-oxo-butyric 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-benzoimidazol-1-yl)-4-oxo-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Methyl-benzoimidazol-1-yl)-4-oxo-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.