2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic Acid
TL;DR: 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic Acid (CAS 99903-58-9) is a chemical compound with molecular formula C11H7ClF6O2 and molecular weight 320.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid
Also Known As: 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic Acid, Benzeneacetic acid,?4-chloro-.alpha.-[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]-
| Molecular Formula | C11H7ClF6O2 |
|---|---|
| Molecular Weight | 320.00 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.00388 |
| Heavy Atoms | 20 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 99903-58-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(C(C(F)(F)F)C(F)(F)F)C(=O)O)Cl |
| InChIKey | KZYRHIAMFNNXBY-UHFFFAOYSA-N |
Product Overview
2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic Acid (CAS 99903-58-9), with molecular formula C11H7ClF6O2 and molecular weight 320.00 g/mol. IUPAC: 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic acid.
Chemical Property Profile of 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic Acid
Property Insights of 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic Acid
The XLogP value of 4.5 indicates that 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic Acid has 1 hydrogen bond donor(s) and 8 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 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic Acid?
The CAS number of 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic Acid is 99903-58-9.
What is the molecular formula of 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic Acid?
The molecular formula of 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic Acid is C11H7ClF6O2.
What is the molecular weight of 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic Acid?
The molecular weight of 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic Acid is 320.00 g/mol.
Where can I buy 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic Acid?
You can request a quote for 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-chlorophenyl)-4,4,4-trifluoro-3-(trifluoromethyl)butanoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.