Butyl 4-fluorobenzoate
TL;DR: Butyl 4-fluorobenzoate (CAS 3888-64-0) 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 4-fluorobenzoate
Also Known As: Butyl 4-fluorobenzoate, Butyl 4-fluorobenzoate #, 4-Fluorobenzoic acid butyl ester, 4-Fluorobenzoic acid, butyl ester, Benzoic acid,4-fluoro-,butyl ester
| Molecular Formula | C11H13FO2 |
|---|---|
| Molecular Weight | 196.09 g/mol |
| LogP | 4.0 |
| 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 | 174.0 |
Chemical Identifiers
| CAS Number | 3888-64-0 |
|---|---|
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)F |
| InChIKey | ZKGLXPKJEGYMNT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 4-fluorobenzoate (CAS 3888-64-0), with molecular formula C11H13FO2 and molecular weight 196.09 g/mol. IUPAC: butyl 4-fluorobenzoate.
Chemical Property Profile of Butyl 4-fluorobenzoate
Property Insights of Butyl 4-fluorobenzoate
The XLogP value of 4.0 indicates that Butyl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 4-fluorobenzoate 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 Butyl 4-fluorobenzoate?
The CAS number of Butyl 4-fluorobenzoate is 3888-64-0.
What is the molecular formula of Butyl 4-fluorobenzoate?
The molecular formula of Butyl 4-fluorobenzoate is C11H13FO2.
What is the molecular weight of Butyl 4-fluorobenzoate?
The molecular weight of Butyl 4-fluorobenzoate is 196.09 g/mol.
Where can I buy Butyl 4-fluorobenzoate?
You can request a quote for Butyl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.