3,5-Bis(trifluoromethyl)phenylacetic acid
TL;DR: 3,5-Bis(trifluoromethyl)phenylacetic acid (CAS 91133-72-1) is a chemical compound with molecular formula C10H6F6O2 and molecular weight 272.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,5-bis(trifluoromethyl)phenyl]acetic acid
Also Known As: 3,5-Bis(trifluoromethyl)phenylacetic acid, fxffr c1vq exfff, 2-[3,5-bis(trifluoromethyl)phenyl]acetic acid, 2-(3,5-bis(trifluoromethyl)phenyl)acetic acid, MBT-PAA
| Molecular Formula | C10H6F6O2 |
|---|---|
| Molecular Weight | 272.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.0272 |
| Heavy Atoms | 18 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 91133-72-1 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CC(=O)O |
| InChIKey | PAWSKKHEEYTXSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Bis(trifluoromethyl)phenylacetic acid (CAS 91133-72-1), with molecular formula C10H6F6O2 and molecular weight 272.03 g/mol. IUPAC: 2-[3,5-bis(trifluoromethyl)phenyl]acetic acid.
Chemical Property Profile of 3,5-Bis(trifluoromethyl)phenylacetic acid
Property Insights of 3,5-Bis(trifluoromethyl)phenylacetic acid
The XLogP value of 3.2 indicates that 3,5-Bis(trifluoromethyl)phenylacetic 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, 3,5-Bis(trifluoromethyl)phenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(trifluoromethyl)phenylacetic 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 3,5-Bis(trifluoromethyl)phenylacetic acid?
The CAS number of 3,5-Bis(trifluoromethyl)phenylacetic acid is 91133-72-1.
What is the molecular formula of 3,5-Bis(trifluoromethyl)phenylacetic acid?
The molecular formula of 3,5-Bis(trifluoromethyl)phenylacetic acid is C10H6F6O2.
What is the molecular weight of 3,5-Bis(trifluoromethyl)phenylacetic acid?
The molecular weight of 3,5-Bis(trifluoromethyl)phenylacetic acid is 272.03 g/mol.
Where can I buy 3,5-Bis(trifluoromethyl)phenylacetic acid?
You can request a quote for 3,5-Bis(trifluoromethyl)phenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(trifluoromethyl)phenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(trifluoromethyl)phenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.