5-Fluoro-2-methylbenzoate
TL;DR: 5-Fluoro-2-methylbenzoate (CAS 175278-29-2) is a chemical compound with molecular formula C8H6FO2- and molecular weight 153.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoro-2-methylbenzoate
Also Known As: 5-fluoro-2-methylbenzoate, Methyl 5-fluoro-2-methylbenzoate
| Molecular Formula | C8H6FO2- |
|---|---|
| Molecular Weight | 153.04 g/mol |
| LogP | 0.49762 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 153.03519 |
| Heavy Atoms | 11 |
| Complexity | 294.1436 |
Chemical Identifiers
| CAS Number | 175278-29-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)F)C(=O)[O-] |
Product Overview
5-Fluoro-2-methylbenzoate (CAS 175278-29-2), with molecular formula C8H6FO2- and molecular weight 153.04 g/mol. IUPAC: 5-fluoro-2-methylbenzoate.
Chemical Property Profile of 5-Fluoro-2-methylbenzoate
Property Insights of 5-Fluoro-2-methylbenzoate
The XLogP value of 0.49762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Fluoro-2-methylbenzoate. With a topological polar surface area (TPSA) of 40.13 Ų, 5-Fluoro-2-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Fluoro-2-methylbenzoate has 0 hydrogen bond donor(s) and 2 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 5-Fluoro-2-methylbenzoate?
The CAS number of 5-Fluoro-2-methylbenzoate is 175278-29-2.
What is the molecular formula of 5-Fluoro-2-methylbenzoate?
The molecular formula of 5-Fluoro-2-methylbenzoate is C8H6FO2-.
What is the molecular weight of 5-Fluoro-2-methylbenzoate?
The molecular weight of 5-Fluoro-2-methylbenzoate is 153.04 g/mol.
Where can I buy 5-Fluoro-2-methylbenzoate?
You can request a quote for 5-Fluoro-2-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Fluoro-2-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Fluoro-2-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.