2-Fluorobenzoic acid, benzyl ester
TL;DR: 2-Fluorobenzoic acid, benzyl ester (CAS 478059-14-2) is a chemical compound with molecular formula C14H11FO2 and molecular weight 230.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-fluorobenzoate
Also Known As: Benzyl 2-fluorobenzoate, Benzyl-2-fluorobenzoate, Benzyl 2-fluorobenzoate #, 2-Fluorobenzoic acid, benzyl ester, 2-Fluorobenzoic acid benzyl ester
| Molecular Formula | C14H11FO2 |
|---|---|
| Molecular Weight | 230.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 230.07431 |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 478059-14-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2F |
| InChIKey | BVLCXWRQHDRIIE-UHFFFAOYSA-N |
Product Overview
2-Fluorobenzoic acid, benzyl ester (CAS 478059-14-2), with molecular formula C14H11FO2 and molecular weight 230.07 g/mol. IUPAC: benzyl 2-fluorobenzoate.
Chemical Property Profile of 2-Fluorobenzoic acid, benzyl ester
Property Insights of 2-Fluorobenzoic acid, benzyl ester
The XLogP value of 3.3 indicates that 2-Fluorobenzoic acid, benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Fluorobenzoic acid, benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluorobenzoic acid, benzyl ester 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-Fluorobenzoic acid, benzyl ester?
The CAS number of 2-Fluorobenzoic acid, benzyl ester is 478059-14-2.
What is the molecular formula of 2-Fluorobenzoic acid, benzyl ester?
The molecular formula of 2-Fluorobenzoic acid, benzyl ester is C14H11FO2.
What is the molecular weight of 2-Fluorobenzoic acid, benzyl ester?
The molecular weight of 2-Fluorobenzoic acid, benzyl ester is 230.07 g/mol.
Where can I buy 2-Fluorobenzoic acid, benzyl ester?
You can request a quote for 2-Fluorobenzoic acid, benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluorobenzoic acid, benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluorobenzoic acid, benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.