2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid
TL;DR: 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid (CAS 289686-70-0) is a chemical compound with molecular formula C12H10F6O2 and molecular weight 300.06 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-methylpropanoic acid
Also Known As: 2-(3,5-bis(trifluoromethyl)phenyl)-2-methylpropanoic acid, Netupitant ITS-5, 2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoic acid, Netupitant Impurity 16, Netupitant Impurity 23
| Molecular Formula | C12H10F6O2 |
|---|---|
| Molecular Weight | 300.06 g/mol |
| LogP | 4.0864 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.0585 |
| Heavy Atoms | 20 |
| Complexity | 495.47958 |
Chemical Identifiers
| CAS Number | 289686-70-0 |
|---|---|
| SMILES | CC(C)(C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C(=O)O |
Product Overview
2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid (CAS 289686-70-0), with molecular formula C12H10F6O2 and molecular weight 300.06 g/mol. IUPAC: 2-[3,5-bis(trifluoromethyl)phenyl]-2-methylpropanoic acid.
Chemical Property Profile of 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid
Property Insights of 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid
The XLogP value of 4.0864 indicates that 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic 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-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic 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-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid?
The CAS number of 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid is 289686-70-0.
What is the molecular formula of 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid?
The molecular formula of 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid is C12H10F6O2.
What is the molecular weight of 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid?
The molecular weight of 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid is 300.06 g/mol.
Where can I buy 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid?
You can request a quote for 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.