alpha-Chloro-3-(trifluoromethyl)benzenepropanoic acid
TL;DR: alpha-Chloro-3-(trifluoromethyl)benzenepropanoic acid (CAS 199803-47-9) is a chemical compound with molecular formula C10H8ClF3O2 and molecular weight 252.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-[3-(trifluoromethyl)phenyl]propanoic acid
Also Known As: 2-chloro-3-[3-(trifluoromethyl)phenyl]propanoic Acid, Benzenepropanoic acid, alpha-chloro-3-(trifluoromethyl)-, ALPHA-CHLORO-3-(TRIFLUOROMETHYL)-HYDROCINNAMIC ACID, alpha-Chloro-3-(trifluoromethyl)benzenepropanoic acid, I+/--Chloro-3-(trifluoromethyl)benzenepropanoic acid
| Molecular Formula | C10H8ClF3O2 |
|---|---|
| Molecular Weight | 252.02 g/mol |
| LogP | 2.9399 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.0165 |
| Heavy Atoms | 16 |
| Complexity | 389.8957 |
Chemical Identifiers
| CAS Number | 199803-47-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CC(C(=O)O)Cl |
Product Overview
alpha-Chloro-3-(trifluoromethyl)benzenepropanoic acid (CAS 199803-47-9), with molecular formula C10H8ClF3O2 and molecular weight 252.02 g/mol. IUPAC: 2-chloro-3-[3-(trifluoromethyl)phenyl]propanoic acid.
Chemical Property Profile of alpha-Chloro-3-(trifluoromethyl)benzenepropanoic acid
Property Insights of alpha-Chloro-3-(trifluoromethyl)benzenepropanoic acid
The XLogP value of 2.9399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Chloro-3-(trifluoromethyl)benzenepropanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, alpha-Chloro-3-(trifluoromethyl)benzenepropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Chloro-3-(trifluoromethyl)benzenepropanoic 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 alpha-Chloro-3-(trifluoromethyl)benzenepropanoic acid?
The CAS number of alpha-Chloro-3-(trifluoromethyl)benzenepropanoic acid is 199803-47-9.
What is the molecular formula of alpha-Chloro-3-(trifluoromethyl)benzenepropanoic acid?
The molecular formula of alpha-Chloro-3-(trifluoromethyl)benzenepropanoic acid is C10H8ClF3O2.
What is the molecular weight of alpha-Chloro-3-(trifluoromethyl)benzenepropanoic acid?
The molecular weight of alpha-Chloro-3-(trifluoromethyl)benzenepropanoic acid is 252.02 g/mol.
Where can I buy alpha-Chloro-3-(trifluoromethyl)benzenepropanoic acid?
You can request a quote for alpha-Chloro-3-(trifluoromethyl)benzenepropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Chloro-3-(trifluoromethyl)benzenepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-Chloro-3-(trifluoromethyl)benzenepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.