2-Fluoro-3-methoxybenzoate
TL;DR: 2-Fluoro-3-methoxybenzoate (CAS 137654-20-7) is a chemical compound with molecular formula C8H6FO3- and molecular weight 169.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-3-methoxybenzoate
Also Known As: 2-fluoro-3-methoxybenzoate, 2-Fluoro-3-methoxybenzoic acid
| Molecular Formula | C8H6FO3- |
|---|---|
| Molecular Weight | 169.03 g/mol |
| LogP | 0.1978 |
| Topological Polar Surface Area | 49.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.03009 |
| Heavy Atoms | 12 |
| Complexity | 309.17133 |
Chemical Identifiers
| CAS Number | 137654-20-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1F)C(=O)[O-] |
Product Overview
2-Fluoro-3-methoxybenzoate (CAS 137654-20-7), with molecular formula C8H6FO3- and molecular weight 169.03 g/mol. IUPAC: 2-fluoro-3-methoxybenzoate.
Chemical Property Profile of 2-Fluoro-3-methoxybenzoate
Property Insights of 2-Fluoro-3-methoxybenzoate
The XLogP value of 0.1978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-3-methoxybenzoate. With a topological polar surface area (TPSA) of 49.36 Ų, 2-Fluoro-3-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-3-methoxybenzoate has 0 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 2-Fluoro-3-methoxybenzoate?
The CAS number of 2-Fluoro-3-methoxybenzoate is 137654-20-7.
What is the molecular formula of 2-Fluoro-3-methoxybenzoate?
The molecular formula of 2-Fluoro-3-methoxybenzoate is C8H6FO3-.
What is the molecular weight of 2-Fluoro-3-methoxybenzoate?
The molecular weight of 2-Fluoro-3-methoxybenzoate is 169.03 g/mol.
Where can I buy 2-Fluoro-3-methoxybenzoate?
You can request a quote for 2-Fluoro-3-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-3-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.