3-Fluoro-4-hydroxybenzeneacetic acid
TL;DR: 3-Fluoro-4-hydroxybenzeneacetic acid (CAS 458-09-3) is a chemical compound with molecular formula C8H7FO3 and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-fluoro-4-hydroxyphenyl)acetic acid
Also Known As: 3-Fluoro-4-hydroxyphenylacetic acid, 2-(3-fluoro-4-hydroxyphenyl)acetic acid, (3-fluoro-4-hydroxyphenyl)acetic acid, 2-Bromo-5-nitrotoluene, 3-Fluoro-4-hydroxybenzeneacetic acid
| Molecular Formula | C8H7FO3 |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.03792 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 458-09-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC(=O)O)F)O |
| InChIKey | YRFBZAHYMOSSGX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Fluoro-4-hydroxybenzeneacetic acid (CAS 458-09-3), with molecular formula C8H7FO3 and molecular weight 170.04 g/mol. IUPAC: 2-(3-fluoro-4-hydroxyphenyl)acetic acid.
Chemical Property Profile of 3-Fluoro-4-hydroxybenzeneacetic acid
Property Insights of 3-Fluoro-4-hydroxybenzeneacetic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-4-hydroxybenzeneacetic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 3-Fluoro-4-hydroxybenzeneacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-4-hydroxybenzeneacetic acid has 2 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-hydroxybenzeneacetic acid?
The CAS number of 3-Fluoro-4-hydroxybenzeneacetic acid is 458-09-3.
What is the molecular formula of 3-Fluoro-4-hydroxybenzeneacetic acid?
The molecular formula of 3-Fluoro-4-hydroxybenzeneacetic acid is C8H7FO3.
What is the molecular weight of 3-Fluoro-4-hydroxybenzeneacetic acid?
The molecular weight of 3-Fluoro-4-hydroxybenzeneacetic acid is 170.04 g/mol.
Where can I buy 3-Fluoro-4-hydroxybenzeneacetic acid?
You can request a quote for 3-Fluoro-4-hydroxybenzeneacetic 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-hydroxybenzeneacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-4-hydroxybenzeneacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.