2-Fluoro-4,5-dimethoxybenzoic acid
TL;DR: 2-Fluoro-4,5-dimethoxybenzoic acid (CAS 79474-35-4) is a chemical compound with molecular formula C9H9FO4 and molecular weight 200.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-4,5-dimethoxybenzoic acid
Also Known As: 2-Fluoro-4,5-dimethoxybenzoic acid, 6-fluoroveratric acid, 2-Fluoro-4,5-dimethoxybenzoicacid, Benzoic acid, 2-fluoro-4,5-dimethoxy-, 2-Fluoro-4,5-dimethoxy-benzoic acid
| Molecular Formula | C9H9FO4 |
|---|---|
| Molecular Weight | 200.05 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 200.0485 |
| Heavy Atoms | 14 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 79474-35-4 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C(=O)O)F)OC |
| InChIKey | DFGPPMUENMUUDV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Fluoro-4,5-dimethoxybenzoic acid (CAS 79474-35-4), with molecular formula C9H9FO4 and molecular weight 200.05 g/mol. IUPAC: 2-fluoro-4,5-dimethoxybenzoic acid.
Chemical Property Profile of 2-Fluoro-4,5-dimethoxybenzoic acid
Property Insights of 2-Fluoro-4,5-dimethoxybenzoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-4,5-dimethoxybenzoic acid. With a topological polar surface area (TPSA) of 55.8 Ų, 2-Fluoro-4,5-dimethoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluoro-4,5-dimethoxybenzoic acid has 1 hydrogen bond donor(s) and 5 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-4,5-dimethoxybenzoic acid?
The CAS number of 2-Fluoro-4,5-dimethoxybenzoic acid is 79474-35-4.
What is the molecular formula of 2-Fluoro-4,5-dimethoxybenzoic acid?
The molecular formula of 2-Fluoro-4,5-dimethoxybenzoic acid is C9H9FO4.
What is the molecular weight of 2-Fluoro-4,5-dimethoxybenzoic acid?
The molecular weight of 2-Fluoro-4,5-dimethoxybenzoic acid is 200.05 g/mol.
Where can I buy 2-Fluoro-4,5-dimethoxybenzoic acid?
You can request a quote for 2-Fluoro-4,5-dimethoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-4,5-dimethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-4,5-dimethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.