3,5-Bis(trifluoromethyl)mandelic acid
TL;DR: 3,5-Bis(trifluoromethyl)mandelic acid (CAS 228107-82-2) is a chemical compound with molecular formula C10H6F6O3 and molecular weight 288.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
Also Known As: 3,5-Bis(trifluoromethyl)mandelic acid, thiochromone-1,1-dioxide, 2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid, 3,5-BIS MANDELICACID, 2-(3,5-Bis(trifluoromethyl)phenyl)-2-hydroxyacetic acid
| Molecular Formula | C10H6F6O3 |
|---|---|
| Molecular Weight | 288.02 g/mol |
| LogP | 2.8422 |
| Topological Polar Surface Area | 57.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.02213 |
| Heavy Atoms | 19 |
| Complexity | 458.76886 |
Chemical Identifiers
| CAS Number | 228107-82-2 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)C(C(=O)O)O |
Product Overview
3,5-Bis(trifluoromethyl)mandelic acid (CAS 228107-82-2), with molecular formula C10H6F6O3 and molecular weight 288.02 g/mol. IUPAC: 2-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid.
Chemical Property Profile of 3,5-Bis(trifluoromethyl)mandelic acid
Property Insights of 3,5-Bis(trifluoromethyl)mandelic acid
The XLogP value of 2.8422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Bis(trifluoromethyl)mandelic acid. With a topological polar surface area (TPSA) of 57.53 Ų, 3,5-Bis(trifluoromethyl)mandelic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(trifluoromethyl)mandelic acid has 2 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 3,5-Bis(trifluoromethyl)mandelic acid?
The CAS number of 3,5-Bis(trifluoromethyl)mandelic acid is 228107-82-2.
What is the molecular formula of 3,5-Bis(trifluoromethyl)mandelic acid?
The molecular formula of 3,5-Bis(trifluoromethyl)mandelic acid is C10H6F6O3.
What is the molecular weight of 3,5-Bis(trifluoromethyl)mandelic acid?
The molecular weight of 3,5-Bis(trifluoromethyl)mandelic acid is 288.02 g/mol.
Where can I buy 3,5-Bis(trifluoromethyl)mandelic acid?
You can request a quote for 3,5-Bis(trifluoromethyl)mandelic 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)mandelic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(trifluoromethyl)mandelic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.