4-(3-Trifluoromethyl-phenoxy)-butyric acid
TL;DR: 4-(3-Trifluoromethyl-phenoxy)-butyric acid (CAS 87411-31-2) is a chemical compound with molecular formula C11H11F3O3 and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(trifluoromethyl)phenoxy]butanoic acid
Also Known As: 4-(3-Trifluoromethyl-phenoxy)-butyric acid, 4-[3-(trifluoromethyl)phenoxy]butanoic acid, ASN 15351577, 4-(3-(Trifluoromethyl)phenoxy)butanoic acid, Butanoic acid, 4-[3-(trifluoromethyl)phenoxy]-
| Molecular Formula | C11H11F3O3 |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 2.949 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 248.06602 |
| Heavy Atoms | 17 |
| Complexity | 387.7932 |
Chemical Identifiers
| CAS Number | 87411-31-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCCCC(=O)O)C(F)(F)F |
Product Overview
4-(3-Trifluoromethyl-phenoxy)-butyric acid (CAS 87411-31-2), with molecular formula C11H11F3O3 and molecular weight 248.07 g/mol. IUPAC: 4-[3-(trifluoromethyl)phenoxy]butanoic acid.
Chemical Property Profile of 4-(3-Trifluoromethyl-phenoxy)-butyric acid
Property Insights of 4-(3-Trifluoromethyl-phenoxy)-butyric acid
The XLogP value of 2.949 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Trifluoromethyl-phenoxy)-butyric acid. With a topological polar surface area (TPSA) of 46.53 Ų, 4-(3-Trifluoromethyl-phenoxy)-butyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Trifluoromethyl-phenoxy)-butyric acid has 1 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-(3-Trifluoromethyl-phenoxy)-butyric acid?
The CAS number of 4-(3-Trifluoromethyl-phenoxy)-butyric acid is 87411-31-2.
What is the molecular formula of 4-(3-Trifluoromethyl-phenoxy)-butyric acid?
The molecular formula of 4-(3-Trifluoromethyl-phenoxy)-butyric acid is C11H11F3O3.
What is the molecular weight of 4-(3-Trifluoromethyl-phenoxy)-butyric acid?
The molecular weight of 4-(3-Trifluoromethyl-phenoxy)-butyric acid is 248.07 g/mol.
Where can I buy 4-(3-Trifluoromethyl-phenoxy)-butyric acid?
You can request a quote for 4-(3-Trifluoromethyl-phenoxy)-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-(3-Trifluoromethyl-phenoxy)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Trifluoromethyl-phenoxy)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.