(3-Fluoro-4-methoxyphenyl)acetic acid
TL;DR: (3-Fluoro-4-methoxyphenyl)acetic acid (CAS 452-25-5) is a chemical compound with molecular formula C9H9FO3 and molecular weight 184.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-fluoro-4-methoxyphenyl)acetic acid
Also Known As: 3-Fluoro-4-methoxyphenylacetic acid, 2-(3-fluoro-4-methoxyphenyl)acetic acid, (3-fluoro-4-methoxyphenyl)acetic acid, 3-fluoro-4-methoxyphenylaceticacid, oxadiazolo[4,5-d]pyrimidine
| Molecular Formula | C9H9FO3 |
|---|---|
| Molecular Weight | 184.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.05357 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 452-25-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CC(=O)O)F |
| InChIKey | VURNBRZIFABCRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(3-Fluoro-4-methoxyphenyl)acetic acid (CAS 452-25-5), with molecular formula C9H9FO3 and molecular weight 184.05 g/mol. IUPAC: 2-(3-fluoro-4-methoxyphenyl)acetic acid.
Chemical Property Profile of (3-Fluoro-4-methoxyphenyl)acetic acid
Property Insights of (3-Fluoro-4-methoxyphenyl)acetic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Fluoro-4-methoxyphenyl)acetic acid. With a topological polar surface area (TPSA) of 46.5 Ų, (3-Fluoro-4-methoxyphenyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Fluoro-4-methoxyphenyl)acetic acid 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 (3-Fluoro-4-methoxyphenyl)acetic acid?
The CAS number of (3-Fluoro-4-methoxyphenyl)acetic acid is 452-25-5.
What is the molecular formula of (3-Fluoro-4-methoxyphenyl)acetic acid?
The molecular formula of (3-Fluoro-4-methoxyphenyl)acetic acid is C9H9FO3.
What is the molecular weight of (3-Fluoro-4-methoxyphenyl)acetic acid?
The molecular weight of (3-Fluoro-4-methoxyphenyl)acetic acid is 184.05 g/mol.
Where can I buy (3-Fluoro-4-methoxyphenyl)acetic acid?
You can request a quote for (3-Fluoro-4-methoxyphenyl)acetic 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-4-methoxyphenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (3-Fluoro-4-methoxyphenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.