Benzoic acid, 5-fluoropentyl ester
TL;DR: Benzoic acid, 5-fluoropentyl ester (CAS 583-16-4) is a chemical compound with molecular formula C12H15FO2 and molecular weight 210.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-fluoropentyl benzoate
Also Known As: 5-fluoropentyl benzoate, 5-Fluoroamyl benzoate, 5-Fluoropentyl ester of benzoic acid, BENZOIC ACID, 5-FLUOROPENTYL ESTER, Benzoic Acid 5-Fluoropentyl Ester
| Molecular Formula | C12H15FO2 |
|---|---|
| Molecular Weight | 210.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 210.1056 |
| Heavy Atoms | 15 |
| Complexity | 176.0 |
Chemical Identifiers
| CAS Number | 583-16-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCCCCF |
| InChIKey | VBUBHKGSNQYAIR-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 5-fluoropentyl ester (CAS 583-16-4), with molecular formula C12H15FO2 and molecular weight 210.11 g/mol. IUPAC: 5-fluoropentyl benzoate.
Chemical Property Profile of Benzoic acid, 5-fluoropentyl ester
Property Insights of Benzoic acid, 5-fluoropentyl ester
The XLogP value of 4.0 indicates that Benzoic acid, 5-fluoropentyl 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, 5-fluoropentyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 5-fluoropentyl 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 Benzoic acid, 5-fluoropentyl ester?
The CAS number of Benzoic acid, 5-fluoropentyl ester is 583-16-4.
What is the molecular formula of Benzoic acid, 5-fluoropentyl ester?
The molecular formula of Benzoic acid, 5-fluoropentyl ester is C12H15FO2.
What is the molecular weight of Benzoic acid, 5-fluoropentyl ester?
The molecular weight of Benzoic acid, 5-fluoropentyl ester is 210.11 g/mol.
Where can I buy Benzoic acid, 5-fluoropentyl ester?
You can request a quote for Benzoic acid, 5-fluoropentyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 5-fluoropentyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 5-fluoropentyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.