3-Fluoro-5-methylphenylacetic acid
TL;DR: 3-Fluoro-5-methylphenylacetic acid (CAS 518070-22-9) is a chemical compound with molecular formula C9H9FO2 and molecular weight 168.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-fluoro-5-methylphenyl)acetic acid
Also Known As: 3-Fluoro-5-methylphenylacetic acid, 2-(3-fluoro-5-methylphenyl)acetic acid, (3-fluoro-5-methylphenyl)acetic acid, methyl2-(chloromethyl)acrylate, 2-(3-fluoro-5-methyl-phenyl)acetic Acid
| Molecular Formula | C9H9FO2 |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | 1.76122 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.05865 |
| Heavy Atoms | 12 |
| Complexity | 287.14688 |
Chemical Identifiers
| CAS Number | 518070-22-9 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)F)CC(=O)O |
Product Overview
3-Fluoro-5-methylphenylacetic acid (CAS 518070-22-9), with molecular formula C9H9FO2 and molecular weight 168.06 g/mol. IUPAC: 2-(3-fluoro-5-methylphenyl)acetic acid.
Chemical Property Profile of 3-Fluoro-5-methylphenylacetic acid
Property Insights of 3-Fluoro-5-methylphenylacetic acid
The XLogP value of 1.76122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-5-methylphenylacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Fluoro-5-methylphenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-5-methylphenylacetic 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 3-Fluoro-5-methylphenylacetic acid?
The CAS number of 3-Fluoro-5-methylphenylacetic acid is 518070-22-9.
What is the molecular formula of 3-Fluoro-5-methylphenylacetic acid?
The molecular formula of 3-Fluoro-5-methylphenylacetic acid is C9H9FO2.
What is the molecular weight of 3-Fluoro-5-methylphenylacetic acid?
The molecular weight of 3-Fluoro-5-methylphenylacetic acid is 168.06 g/mol.
Where can I buy 3-Fluoro-5-methylphenylacetic acid?
You can request a quote for 3-Fluoro-5-methylphenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-5-methylphenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-5-methylphenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.