2,5-Bis(trifluoromethyl)phenylacetic acid
TL;DR: 2,5-Bis(trifluoromethyl)phenylacetic acid (CAS 302912-02-3) 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-[2,5-bis(trifluoromethyl)phenyl]acetic acid
Also Known As: 2,5-Bis(trifluoromethyl)phenylacetic acid, Netupitant Impurity 32, 2-(2,5-Bis(trifluoromethyl)phenyl)acetic acid, 2-[2,5-bis(trifluoromethyl)phenyl]acetic Acid, [2,5-bis(trifluoromethyl)phenyl]acetic acid
| Molecular Formula | C10H6F6O2 |
|---|---|
| Molecular Weight | 272.03 g/mol |
| LogP | 3.3513 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.0272 |
| Heavy Atoms | 18 |
| Complexity | 460.4162 |
Chemical Identifiers
| CAS Number | 302912-02-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)CC(=O)O)C(F)(F)F |
Product Overview
2,5-Bis(trifluoromethyl)phenylacetic acid (CAS 302912-02-3), with molecular formula C10H6F6O2 and molecular weight 272.03 g/mol. IUPAC: 2-[2,5-bis(trifluoromethyl)phenyl]acetic acid.
Chemical Property Profile of 2,5-Bis(trifluoromethyl)phenylacetic acid
Property Insights of 2,5-Bis(trifluoromethyl)phenylacetic acid
The XLogP value of 3.3513 indicates that 2,5-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, 2,5-Bis(trifluoromethyl)phenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Bis(trifluoromethyl)phenylacetic 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 2,5-Bis(trifluoromethyl)phenylacetic acid?
The CAS number of 2,5-Bis(trifluoromethyl)phenylacetic acid is 302912-02-3.
What is the molecular formula of 2,5-Bis(trifluoromethyl)phenylacetic acid?
The molecular formula of 2,5-Bis(trifluoromethyl)phenylacetic acid is C10H6F6O2.
What is the molecular weight of 2,5-Bis(trifluoromethyl)phenylacetic acid?
The molecular weight of 2,5-Bis(trifluoromethyl)phenylacetic acid is 272.03 g/mol.
Where can I buy 2,5-Bis(trifluoromethyl)phenylacetic acid?
You can request a quote for 2,5-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 2,5-Bis(trifluoromethyl)phenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Bis(trifluoromethyl)phenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.