Isopropyl 4-fluorobenzoate
TL;DR: Isopropyl 4-fluorobenzoate (CAS 2928-09-8) 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.
propan-2-yl 4-fluorobenzoate
Also Known As: Isopropyl 4-fluorobenzoate, Isopropyl 4-fluorobenzoate #, propan-2-yl 4-fluorobenzoate, 4-Fluorobenzoic acid, isopropyl ester, N/A
| Molecular Formula | C10H11FO2 |
|---|---|
| Molecular Weight | 182.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.07431 |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 2928-09-8 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=C(C=C1)F |
| InChIKey | HDLDBBNWMRJNNP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopropyl 4-fluorobenzoate (CAS 2928-09-8), with molecular formula C10H11FO2 and molecular weight 182.07 g/mol. IUPAC: propan-2-yl 4-fluorobenzoate.
Chemical Property Profile of Isopropyl 4-fluorobenzoate
Property Insights of Isopropyl 4-fluorobenzoate
The XLogP value of 3.3 indicates that Isopropyl 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, Isopropyl 4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 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 Isopropyl 4-fluorobenzoate?
The CAS number of Isopropyl 4-fluorobenzoate is 2928-09-8.
What is the molecular formula of Isopropyl 4-fluorobenzoate?
The molecular formula of Isopropyl 4-fluorobenzoate is C10H11FO2.
What is the molecular weight of Isopropyl 4-fluorobenzoate?
The molecular weight of Isopropyl 4-fluorobenzoate is 182.07 g/mol.
Where can I buy Isopropyl 4-fluorobenzoate?
You can request a quote for Isopropyl 4-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.