o-Toluic acid, alpha-(p-fluorobenzoyl)-
TL;DR: o-Toluic acid, alpha-(p-fluorobenzoyl)- (CAS 54955-29-2) is a chemical compound with molecular formula C15H11FO3 and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-fluorophenyl)-2-oxoethyl]benzoic acid
Also Known As: o-Toluic acid, alpha-(p-fluorobenzoyl)-, alpha-(p-Fluorobenzoyl)-o-toluic acid, 2-[2-Oxo-2- ethyl]benzoicacid, 2-[2-(4-fluorophenyl)-2-oxoethyl]benzoic acid, Acide (fluoro-4' benzoyl) alpha-orthotoluique
| Molecular Formula | C15H11FO3 |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.0692 |
| Heavy Atoms | 19 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 54955-29-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(=O)C2=CC=C(C=C2)F)C(=O)O |
| InChIKey | BDNMWBHSKATDFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
o-Toluic acid, alpha-(p-fluorobenzoyl)- (CAS 54955-29-2), with molecular formula C15H11FO3 and molecular weight 258.07 g/mol. IUPAC: 2-[2-(4-fluorophenyl)-2-oxoethyl]benzoic acid.
Chemical Property Profile of o-Toluic acid, alpha-(p-fluorobenzoyl)-
Property Insights of o-Toluic acid, alpha-(p-fluorobenzoyl)-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for o-Toluic acid, alpha-(p-fluorobenzoyl)-. With a topological polar surface area (TPSA) of 54.4 Ų, o-Toluic acid, alpha-(p-fluorobenzoyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Toluic acid, alpha-(p-fluorobenzoyl)- has 1 hydrogen bond donor(s) and 4 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-(p-fluorobenzoyl)-?
The CAS number of o-Toluic acid, alpha-(p-fluorobenzoyl)- is 54955-29-2.
What is the molecular formula of o-Toluic acid, alpha-(p-fluorobenzoyl)-?
The molecular formula of o-Toluic acid, alpha-(p-fluorobenzoyl)- is C15H11FO3.
What is the molecular weight of o-Toluic acid, alpha-(p-fluorobenzoyl)-?
The molecular weight of o-Toluic acid, alpha-(p-fluorobenzoyl)- is 258.07 g/mol.
Where can I buy o-Toluic acid, alpha-(p-fluorobenzoyl)-?
You can request a quote for o-Toluic acid, alpha-(p-fluorobenzoyl)- 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-(p-fluorobenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for o-Toluic acid, alpha-(p-fluorobenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.