4-(5-Fluoro-1H-benzoimidazol-2-yl)-butyric acid
TL;DR: 4-(5-Fluoro-1H-benzoimidazol-2-yl)-butyric acid (CAS 876716-08-4) is a chemical compound with molecular formula C11H11FN2O2 and molecular weight 222.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(6-fluoro-1H-benzimidazol-2-yl)butanoic acid
Also Known As: 4-(5-Fluoro-1H-benzoimidazol-2-yl)-butyric acid, 4-(5-fluoro-1H-benzimidazol-2-yl)butanoic acid, 2-Chloro-3-fluoroisonicotinic acid, 4-(6-fluoro-1H-benzimidazol-2-yl)butanoic acid, BAS 10149235
| Molecular Formula | C11H11FN2O2 |
|---|---|
| Molecular Weight | 222.08 g/mol |
| LogP | 2.1093 |
| Topological Polar Surface Area | 65.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 222.08046 |
| Heavy Atoms | 16 |
| Complexity | 521.67896 |
Chemical Identifiers
| CAS Number | 876716-08-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1F)NC(=N2)CCCC(=O)O |
Product Overview
4-(5-Fluoro-1H-benzoimidazol-2-yl)-butyric acid (CAS 876716-08-4), with molecular formula C11H11FN2O2 and molecular weight 222.08 g/mol. IUPAC: 4-(6-fluoro-1H-benzimidazol-2-yl)butanoic acid.
Chemical Property Profile of 4-(5-Fluoro-1H-benzoimidazol-2-yl)-butyric acid
Property Insights of 4-(5-Fluoro-1H-benzoimidazol-2-yl)-butyric acid
The XLogP value of 2.1093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Fluoro-1H-benzoimidazol-2-yl)-butyric acid. The TPSA of 65.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Fluoro-1H-benzoimidazol-2-yl)-butyric acid. Following Lipinski's Rule of Five, 4-(5-Fluoro-1H-benzoimidazol-2-yl)-butyric acid has 2 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-(5-Fluoro-1H-benzoimidazol-2-yl)-butyric acid?
The CAS number of 4-(5-Fluoro-1H-benzoimidazol-2-yl)-butyric acid is 876716-08-4.
What is the molecular formula of 4-(5-Fluoro-1H-benzoimidazol-2-yl)-butyric acid?
The molecular formula of 4-(5-Fluoro-1H-benzoimidazol-2-yl)-butyric acid is C11H11FN2O2.
What is the molecular weight of 4-(5-Fluoro-1H-benzoimidazol-2-yl)-butyric acid?
The molecular weight of 4-(5-Fluoro-1H-benzoimidazol-2-yl)-butyric acid is 222.08 g/mol.
Where can I buy 4-(5-Fluoro-1H-benzoimidazol-2-yl)-butyric acid?
You can request a quote for 4-(5-Fluoro-1H-benzoimidazol-2-yl)-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-(5-Fluoro-1H-benzoimidazol-2-yl)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Fluoro-1H-benzoimidazol-2-yl)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.