2-(3-Fluoro-4-methylbenzyl)benzoic acid
TL;DR: 2-(3-Fluoro-4-methylbenzyl)benzoic acid (CAS 313505-74-7) is a chemical compound with molecular formula C15H13FO2 and molecular weight 244.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-fluoro-4-methylphenyl)methyl]benzoic acid
Also Known As: 2-(3-fluoro-4-methylbenzyl)benzoic acid, 3-Tolyl diiodomethyl sulfone, CHEMBRDG-BB5212569, 2-[(3-fluoro-4-methylphenyl)methyl]benzoic acid, CHEMBRDG-BB 5212569
| Molecular Formula | C15H13FO2 |
|---|---|
| Molecular Weight | 244.09 g/mol |
| LogP | 3.42312 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.08995 |
| Heavy Atoms | 18 |
| Complexity | 590.7975 |
Chemical Identifiers
| CAS Number | 313505-74-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)CC2=CC=CC=C2C(=O)O)F |
Product Overview
2-(3-Fluoro-4-methylbenzyl)benzoic acid (CAS 313505-74-7), with molecular formula C15H13FO2 and molecular weight 244.09 g/mol. IUPAC: 2-[(3-fluoro-4-methylphenyl)methyl]benzoic acid.
Chemical Property Profile of 2-(3-Fluoro-4-methylbenzyl)benzoic acid
Property Insights of 2-(3-Fluoro-4-methylbenzyl)benzoic acid
The XLogP value of 3.42312 indicates that 2-(3-Fluoro-4-methylbenzyl)benzoic 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-Fluoro-4-methylbenzyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Fluoro-4-methylbenzyl)benzoic 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-Fluoro-4-methylbenzyl)benzoic acid?
The CAS number of 2-(3-Fluoro-4-methylbenzyl)benzoic acid is 313505-74-7.
What is the molecular formula of 2-(3-Fluoro-4-methylbenzyl)benzoic acid?
The molecular formula of 2-(3-Fluoro-4-methylbenzyl)benzoic acid is C15H13FO2.
What is the molecular weight of 2-(3-Fluoro-4-methylbenzyl)benzoic acid?
The molecular weight of 2-(3-Fluoro-4-methylbenzyl)benzoic acid is 244.09 g/mol.
Where can I buy 2-(3-Fluoro-4-methylbenzyl)benzoic acid?
You can request a quote for 2-(3-Fluoro-4-methylbenzyl)benzoic 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-Fluoro-4-methylbenzyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Fluoro-4-methylbenzyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.