Methyl 4-fluoro-3-methoxybenzoate
TL;DR: Methyl 4-fluoro-3-methoxybenzoate (CAS 74385-48-1) 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.
methyl 4-fluoro-3-methoxybenzoate
Also Known As: Methyl 4-fluoro-3-methoxybenzoate, methylfluoromethoxybenzoate, Methyl4-fluoro-3-methoxybenzoate, methyl 4-fluoro-3-methoxy-benzoate, 1552AC
| Molecular Formula | C9H9FO3 |
|---|---|
| Molecular Weight | 184.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.05357 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 74385-48-1 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C(=O)OC)F |
| InChIKey | BKTVDAXZKFVQPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-fluoro-3-methoxybenzoate (CAS 74385-48-1), with molecular formula C9H9FO3 and molecular weight 184.05 g/mol. IUPAC: methyl 4-fluoro-3-methoxybenzoate.
Chemical Property Profile of Methyl 4-fluoro-3-methoxybenzoate
Property Insights of Methyl 4-fluoro-3-methoxybenzoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-fluoro-3-methoxybenzoate. With a topological polar surface area (TPSA) of 35.5 Ų, Methyl 4-fluoro-3-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-fluoro-3-methoxybenzoate has 0 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 Methyl 4-fluoro-3-methoxybenzoate?
The CAS number of Methyl 4-fluoro-3-methoxybenzoate is 74385-48-1.
What is the molecular formula of Methyl 4-fluoro-3-methoxybenzoate?
The molecular formula of Methyl 4-fluoro-3-methoxybenzoate is C9H9FO3.
What is the molecular weight of Methyl 4-fluoro-3-methoxybenzoate?
The molecular weight of Methyl 4-fluoro-3-methoxybenzoate is 184.05 g/mol.
Where can I buy Methyl 4-fluoro-3-methoxybenzoate?
You can request a quote for Methyl 4-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 Methyl 4-fluoro-3-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-fluoro-3-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.