Methyl 4-fluorosalicylate
TL;DR: Methyl 4-fluorosalicylate (CAS 392-04-1) 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.
methyl 4-fluoro-2-hydroxybenzoate
Also Known As: methyl 4-fluoro-2-hydroxybenzoate, Methyl 4-Fluorosalicylate, Methyl4-Fluorosalicylate, Methyl 4-fluoro-2-hydroxy-benzoate, 4-Fluoro-6-hydroxy-benzoic acid methyl ester
| Molecular Formula | C8H7FO3 |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | 1.3179 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.03792 |
| Heavy Atoms | 12 |
| Complexity | 309.17133 |
Chemical Identifiers
| CAS Number | 392-04-1 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)F)O |
Product Overview
Methyl 4-fluorosalicylate (CAS 392-04-1), with molecular formula C8H7FO3 and molecular weight 170.04 g/mol. IUPAC: methyl 4-fluoro-2-hydroxybenzoate.
Chemical Property Profile of Methyl 4-fluorosalicylate
Property Insights of Methyl 4-fluorosalicylate
The XLogP value of 1.3179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-fluorosalicylate. With a topological polar surface area (TPSA) of 46.53 Ų, Methyl 4-fluorosalicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-fluorosalicylate 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 Methyl 4-fluorosalicylate?
The CAS number of Methyl 4-fluorosalicylate is 392-04-1.
What is the molecular formula of Methyl 4-fluorosalicylate?
The molecular formula of Methyl 4-fluorosalicylate is C8H7FO3.
What is the molecular weight of Methyl 4-fluorosalicylate?
The molecular weight of Methyl 4-fluorosalicylate is 170.04 g/mol.
Where can I buy Methyl 4-fluorosalicylate?
You can request a quote for Methyl 4-fluorosalicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-fluorosalicylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-fluorosalicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.