Benzoic acid, 4-fluorobutyl ester
TL;DR: Benzoic acid, 4-fluorobutyl ester (CAS 326-49-8) is a chemical compound with molecular formula C11H13FO2 and molecular weight 196.08995 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-fluorobutyl benzoate
Also Known As: 4-Fluorobutyl benzoate, Benzoic acid=4-fluorobutyl ester, BENZOIC ACID, 4-FLUOROBUTYL ESTER, benzoic acid-(4-fluoro-butyl ester), 4-09-00-00291 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C11H13FO2 |
| Molecular Weight | 196.08995 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 196.08995 Da |
| Heavy Atoms | 14 |
| Complexity | 165.0 |
| SMILES | C1=CC=C(C=C1)C(=O)OCCCCF |
| InChIKey | RQAPPUJQAWSNMH-UHFFFAOYSA-N |
Product Description
Applications: Benzoic acid, 4-fluorobutyl ester is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzoic acid, 4-fluorobutyl ester (CAS 326-49-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Benzoic acid, 4-fluorobutyl ester is a fine chemical identified by CAS number 326-49-8 and the molecular formula C11H13FO2 and a molecular weight of 196.09 g/mol. It is also known as 4-Fluorobutyl benzoate and Benzoic acid=4-fluorobutyl ester.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Benzoic acid, 4-fluorobutyl ester
Property Insights of Benzoic acid, 4-fluorobutyl ester
The XLogP value of 3.6 indicates that Benzoic acid, 4-fluorobutyl 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, Benzoic acid, 4-fluorobutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-fluorobutyl 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
What is the CAS number of Benzoic acid, 4-fluorobutyl ester?
The CAS number of Benzoic acid, 4-fluorobutyl ester is 326-49-8.
What is the molecular formula of Benzoic acid, 4-fluorobutyl ester?
The molecular formula of Benzoic acid, 4-fluorobutyl ester is C11H13FO2.
What is the molecular weight of Benzoic acid, 4-fluorobutyl ester?
The molecular weight of Benzoic acid, 4-fluorobutyl ester is 196.08995 g/mol.
What are the applications of Benzoic acid, 4-fluorobutyl ester?
Benzoic acid, 4-fluorobutyl ester is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Benzoic acid, 4-fluorobutyl ester (CAS 326-49-8) with custom synthesis available from milligram to multi-kilogram...
Where can I buy Benzoic acid, 4-fluorobutyl ester?
You can request a quote for Benzoic acid, 4-fluorobutyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-fluorobutyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-fluorobutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.