o-Toluic acid, alpha-(4-fluoro-1-naphthyl)-
TL;DR: o-Toluic acid, alpha-(4-fluoro-1-naphthyl)- (CAS 2341-58-4) is a chemical compound with molecular formula C18H13FO2 and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluoronaphthalen-1-yl)methyl]benzoic acid
Also Known As: Faniline, o-Toluic acid, alpha-(4-fluoro-1-naphthyl)-, 2-[(4-fluoronaphthalen-1-yl)methyl]benzoic acid, 2-[(4-Fluoro-1-naphthalenyl)methyl]benzoic acid, Benzoic acid, 2-[(4-fluoro-1-naphthalenyl)methyl]-
| Molecular Formula | C18H13FO2 |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.08997 |
| Heavy Atoms | 21 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 2341-58-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC2=CC=C(C3=CC=CC=C23)F)C(=O)O |
| InChIKey | OHVSTMNYOCSAFF-UHFFFAOYSA-N |
Product Overview
o-Toluic acid, alpha-(4-fluoro-1-naphthyl)- (CAS 2341-58-4), with molecular formula C18H13FO2 and molecular weight 280.09 g/mol. IUPAC: 2-[(4-fluoronaphthalen-1-yl)methyl]benzoic acid.
Chemical Property Profile of o-Toluic acid, alpha-(4-fluoro-1-naphthyl)-
Property Insights of o-Toluic acid, alpha-(4-fluoro-1-naphthyl)-
The XLogP value of 4.7 indicates that o-Toluic acid, alpha-(4-fluoro-1-naphthyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, o-Toluic acid, alpha-(4-fluoro-1-naphthyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-Toluic acid, alpha-(4-fluoro-1-naphthyl)- has 1 hydrogen bond donor(s) and 3 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-(4-fluoro-1-naphthyl)-?
The CAS number of o-Toluic acid, alpha-(4-fluoro-1-naphthyl)- is 2341-58-4.
What is the molecular formula of o-Toluic acid, alpha-(4-fluoro-1-naphthyl)-?
The molecular formula of o-Toluic acid, alpha-(4-fluoro-1-naphthyl)- is C18H13FO2.
What is the molecular weight of o-Toluic acid, alpha-(4-fluoro-1-naphthyl)-?
The molecular weight of o-Toluic acid, alpha-(4-fluoro-1-naphthyl)- is 280.09 g/mol.
Where can I buy o-Toluic acid, alpha-(4-fluoro-1-naphthyl)-?
You can request a quote for o-Toluic acid, alpha-(4-fluoro-1-naphthyl)- 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-(4-fluoro-1-naphthyl)-?
Yes, KEHONG BIO provides custom synthesis services for o-Toluic acid, alpha-(4-fluoro-1-naphthyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.