Propyl 2-fluorobenzoate
TL;DR: Propyl 2-fluorobenzoate (CAS 811465-80-2) is a chemical compound with molecular formula C10H11FO2 and molecular weight 182.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 2-fluorobenzoate
Also Known As: Propyl 2-fluorobenzoate, 2-Fluorobenzoic acid, propyl ester, 2-Fluorobenzoic acid propyl ester, Benzoic acid, 2-fluoro-, propyl ester, J3.700.594K
| Molecular Formula | C10H11FO2 |
|---|---|
| Molecular Weight | 182.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.07431 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 811465-80-2 |
|---|---|
| SMILES | CCCOC(=O)C1=CC=CC=C1F |
| InChIKey | IOQAFIPZQVBMTK-UHFFFAOYSA-N |
Product Overview
Propyl 2-fluorobenzoate (CAS 811465-80-2), with molecular formula C10H11FO2 and molecular weight 182.07 g/mol. IUPAC: propyl 2-fluorobenzoate.
Chemical Property Profile of Propyl 2-fluorobenzoate
Property Insights of Propyl 2-fluorobenzoate
The XLogP value of 3.7 indicates that Propyl 2-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, Propyl 2-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 2-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 Propyl 2-fluorobenzoate?
The CAS number of Propyl 2-fluorobenzoate is 811465-80-2.
What is the molecular formula of Propyl 2-fluorobenzoate?
The molecular formula of Propyl 2-fluorobenzoate is C10H11FO2.
What is the molecular weight of Propyl 2-fluorobenzoate?
The molecular weight of Propyl 2-fluorobenzoate is 182.07 g/mol.
Where can I buy Propyl 2-fluorobenzoate?
You can request a quote for Propyl 2-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propyl 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Propyl 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.