o-Toluic acid, alpha-(3-(trifluoromethyl)benzoyl)-
TL;DR: o-Toluic acid, alpha-(3-(trifluoromethyl)benzoyl)- (CAS 50439-12-8) is a chemical compound with molecular formula C16H11F3O3 and molecular weight 308.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]benzoic acid
Also Known As: o-Toluic acid, alpha-(3-(trifluoromethyl)benzoyl)-, alpha-(3-(Trifluoromethyl)benzoyl)-o-toluic acid, 3-Trifluormethyldesoxybenzoin-2'-carbonsaeure, Acide (trifluoro methyl-3' benzoyl) alpha-orthotoluique, Benzoic acid, 2-(2-oxo-2-(3-(trifluoromethyl)phenyl)ethyl)-
| Molecular Formula | C16H11F3O3 |
|---|---|
| Molecular Weight | 308.07 g/mol |
| LogP | 3.829 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.06604 |
| Heavy Atoms | 22 |
| Complexity | 720.5711 |
Chemical Identifiers
| CAS Number | 50439-12-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(=O)C2=CC(=CC=C2)C(F)(F)F)C(=O)O |
Product Overview
o-Toluic acid, alpha-(3-(trifluoromethyl)benzoyl)- (CAS 50439-12-8), with molecular formula C16H11F3O3 and molecular weight 308.07 g/mol. IUPAC: 2-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]benzoic acid.
Chemical Property Profile of o-Toluic acid, alpha-(3-(trifluoromethyl)benzoyl)-
Property Insights of o-Toluic acid, alpha-(3-(trifluoromethyl)benzoyl)-
The XLogP value of 3.829 indicates that o-Toluic acid, alpha-(3-(trifluoromethyl)benzoyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, o-Toluic acid, alpha-(3-(trifluoromethyl)benzoyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Toluic acid, alpha-(3-(trifluoromethyl)benzoyl)- 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 o-Toluic acid, alpha-(3-(trifluoromethyl)benzoyl)-?
The CAS number of o-Toluic acid, alpha-(3-(trifluoromethyl)benzoyl)- is 50439-12-8.
What is the molecular formula of o-Toluic acid, alpha-(3-(trifluoromethyl)benzoyl)-?
The molecular formula of o-Toluic acid, alpha-(3-(trifluoromethyl)benzoyl)- is C16H11F3O3.
What is the molecular weight of o-Toluic acid, alpha-(3-(trifluoromethyl)benzoyl)-?
The molecular weight of o-Toluic acid, alpha-(3-(trifluoromethyl)benzoyl)- is 308.07 g/mol.
Where can I buy o-Toluic acid, alpha-(3-(trifluoromethyl)benzoyl)-?
You can request a quote for o-Toluic acid, alpha-(3-(trifluoromethyl)benzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-Toluic acid, alpha-(3-(trifluoromethyl)benzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for o-Toluic acid, alpha-(3-(trifluoromethyl)benzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.