3-(3-Trifluoromethylphenyl)propanoic acid
TL;DR: 3-(3-Trifluoromethylphenyl)propanoic acid (CAS 585-54-6) is a chemical compound with molecular formula C10H9F3O2 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(trifluoromethyl)phenyl]propanoic acid
Also Known As: 3-(3-(trifluoromethyl)phenyl)propanoic acid, 3-(3-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID, Cinacalcet (m5), 3-[3-(trifluoromethyl)phenyl]propanoic Acid, Cinacalcet Impurity I
| Molecular Formula | C10H9F3O2 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 2.7226 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.05547 |
| Heavy Atoms | 15 |
| Complexity | 357.9303 |
Chemical Identifiers
| CAS Number | 585-54-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CCC(=O)O |
Product Overview
3-(3-Trifluoromethylphenyl)propanoic acid (CAS 585-54-6), with molecular formula C10H9F3O2 and molecular weight 218.06 g/mol. IUPAC: 3-[3-(trifluoromethyl)phenyl]propanoic acid.
Chemical Property Profile of 3-(3-Trifluoromethylphenyl)propanoic acid
Property Insights of 3-(3-Trifluoromethylphenyl)propanoic acid
The XLogP value of 2.7226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Trifluoromethylphenyl)propanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(3-Trifluoromethylphenyl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Trifluoromethylphenyl)propanoic acid has 1 hydrogen bond donor(s) and 1 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-(3-Trifluoromethylphenyl)propanoic acid?
The CAS number of 3-(3-Trifluoromethylphenyl)propanoic acid is 585-54-6.
What is the molecular formula of 3-(3-Trifluoromethylphenyl)propanoic acid?
The molecular formula of 3-(3-Trifluoromethylphenyl)propanoic acid is C10H9F3O2.
What is the molecular weight of 3-(3-Trifluoromethylphenyl)propanoic acid?
The molecular weight of 3-(3-Trifluoromethylphenyl)propanoic acid is 218.06 g/mol.
Where can I buy 3-(3-Trifluoromethylphenyl)propanoic acid?
You can request a quote for 3-(3-Trifluoromethylphenyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Trifluoromethylphenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Trifluoromethylphenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.