2-Fluorobenzoic acid, butyl ester
TL;DR: 2-Fluorobenzoic acid, butyl ester (CAS 371779-67-8) is a chemical compound with molecular formula C11H13FO2 and molecular weight 196.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-fluorobenzoate
Also Known As: Butyl 2-fluorobenzoate, n-butyl 2-fluorobenzoate, 2-Fluorobenzoic acid, butyl ester, 2-Fluorobenzoic acid butyl ester, J1.579.509C
| Molecular Formula | C11H13FO2 |
|---|---|
| Molecular Weight | 196.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 196.08995 |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 371779-67-8 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=CC=C1F |
| InChIKey | FJBYSTBVNZDKFV-UHFFFAOYSA-N |
Product Overview
2-Fluorobenzoic acid, butyl ester (CAS 371779-67-8), with molecular formula C11H13FO2 and molecular weight 196.09 g/mol. IUPAC: butyl 2-fluorobenzoate.
Chemical Property Profile of 2-Fluorobenzoic acid, butyl ester
Property Insights of 2-Fluorobenzoic acid, butyl ester
The XLogP value of 4.5 indicates that 2-Fluorobenzoic acid, butyl 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, butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Fluorobenzoic acid, butyl 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, butyl ester?
The CAS number of 2-Fluorobenzoic acid, butyl ester is 371779-67-8.
What is the molecular formula of 2-Fluorobenzoic acid, butyl ester?
The molecular formula of 2-Fluorobenzoic acid, butyl ester is C11H13FO2.
What is the molecular weight of 2-Fluorobenzoic acid, butyl ester?
The molecular weight of 2-Fluorobenzoic acid, butyl ester is 196.09 g/mol.
Where can I buy 2-Fluorobenzoic acid, butyl ester?
You can request a quote for 2-Fluorobenzoic acid, butyl 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, butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluorobenzoic acid, butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.