4-(1H-benzimidazol-1-yl)-4-oxobutanoic acid
TL;DR: 4-(1H-benzimidazol-1-yl)-4-oxobutanoic acid (CAS 305346-96-7) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzimidazol-1-yl)-4-oxobutanoic acid
Also Known As: BAS 01905988, 4-Benzoimidazol-1-yl-4-oxo-butyric acid, 4-(1H-benzimidazol-1-yl)-4-oxobutanoic acid, 4-(benzimidazol-1-yl)-4-oxobutanoic acid, 4-(1H-1,3-benzodiazol-1-yl)-4-oxobutanoic acid
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 1.5413 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 544.9082 |
Chemical Identifiers
| CAS Number | 305346-96-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CN2C(=O)CCC(=O)O |
Product Overview
4-(1H-benzimidazol-1-yl)-4-oxobutanoic acid (CAS 305346-96-7), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: 4-(benzimidazol-1-yl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(1H-benzimidazol-1-yl)-4-oxobutanoic acid
Property Insights of 4-(1H-benzimidazol-1-yl)-4-oxobutanoic acid
The XLogP value of 1.5413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1H-benzimidazol-1-yl)-4-oxobutanoic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(1H-benzimidazol-1-yl)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-(1H-benzimidazol-1-yl)-4-oxobutanoic 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-(1H-benzimidazol-1-yl)-4-oxobutanoic acid?
The CAS number of 4-(1H-benzimidazol-1-yl)-4-oxobutanoic acid is 305346-96-7.
What is the molecular formula of 4-(1H-benzimidazol-1-yl)-4-oxobutanoic acid?
The molecular formula of 4-(1H-benzimidazol-1-yl)-4-oxobutanoic acid is C11H10N2O3.
What is the molecular weight of 4-(1H-benzimidazol-1-yl)-4-oxobutanoic acid?
The molecular weight of 4-(1H-benzimidazol-1-yl)-4-oxobutanoic acid is 218.07 g/mol.
Where can I buy 4-(1H-benzimidazol-1-yl)-4-oxobutanoic acid?
You can request a quote for 4-(1H-benzimidazol-1-yl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1H-benzimidazol-1-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(1H-benzimidazol-1-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.