3-(2-Trifluoromethyl-benzoimidazol-1-yl)-propionic acid
TL;DR: 3-(2-Trifluoromethyl-benzoimidazol-1-yl)-propionic acid (CAS 883545-17-3) is a chemical compound with molecular formula C11H9F3N2O2 and molecular weight 258.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid
Also Known As: 3-(2-Trifluoromethyl-benzoimidazol-1-yl)-propionic acid, BAS 00511052, 3-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid, BB 0218030, 3-[2-(trifluoromethyl)benzimidazolyl]propanoic acid
| Molecular Formula | C11H9F3N2O2 |
|---|---|
| Molecular Weight | 258.06 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 258.0616 |
| Heavy Atoms | 18 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 883545-17-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(N2CCC(=O)O)C(F)(F)F |
| InChIKey | AJIMSSWHMBCANF-UHFFFAOYSA-N |
Product Overview
3-(2-Trifluoromethyl-benzoimidazol-1-yl)-propionic acid (CAS 883545-17-3), with molecular formula C11H9F3N2O2 and molecular weight 258.06 g/mol. IUPAC: 3-[2-(trifluoromethyl)benzimidazol-1-yl]propanoic acid.
Chemical Property Profile of 3-(2-Trifluoromethyl-benzoimidazol-1-yl)-propionic acid
Property Insights of 3-(2-Trifluoromethyl-benzoimidazol-1-yl)-propionic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Trifluoromethyl-benzoimidazol-1-yl)-propionic acid. With a topological polar surface area (TPSA) of 55.1 Ų, 3-(2-Trifluoromethyl-benzoimidazol-1-yl)-propionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Trifluoromethyl-benzoimidazol-1-yl)-propionic acid has 1 hydrogen bond donor(s) and 6 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 3-(2-Trifluoromethyl-benzoimidazol-1-yl)-propionic acid?
The CAS number of 3-(2-Trifluoromethyl-benzoimidazol-1-yl)-propionic acid is 883545-17-3.
What is the molecular formula of 3-(2-Trifluoromethyl-benzoimidazol-1-yl)-propionic acid?
The molecular formula of 3-(2-Trifluoromethyl-benzoimidazol-1-yl)-propionic acid is C11H9F3N2O2.
What is the molecular weight of 3-(2-Trifluoromethyl-benzoimidazol-1-yl)-propionic acid?
The molecular weight of 3-(2-Trifluoromethyl-benzoimidazol-1-yl)-propionic acid is 258.06 g/mol.
Where can I buy 3-(2-Trifluoromethyl-benzoimidazol-1-yl)-propionic acid?
You can request a quote for 3-(2-Trifluoromethyl-benzoimidazol-1-yl)-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Trifluoromethyl-benzoimidazol-1-yl)-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Trifluoromethyl-benzoimidazol-1-yl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.