4-Fluoropropiophenone
TL;DR: 4-Fluoropropiophenone (CAS 456-03-1) is a chemical compound with molecular formula C9H9FO and molecular weight 152.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)propan-1-one
Also Known As: 4'-Fluoropropiophenone, 1-(4-fluorophenyl)propan-1-one, 4-Fluoropropiophenone, p-Fluoropropiophenone, Ethyl 4-Fluorophenyl Ketone
| Molecular Formula | C9H9FO |
|---|---|
| Molecular Weight | 152.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 152.06374 |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 456-03-1 |
|---|---|
| SMILES | CCC(=O)C1=CC=C(C=C1)F |
| InChIKey | QIJNVLLXIIPXQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Fluoropropiophenone (CAS 456-03-1), with molecular formula C9H9FO and molecular weight 152.06 g/mol. IUPAC: 1-(4-fluorophenyl)propan-1-one.
Chemical Property Profile of 4-Fluoropropiophenone
Property Insights of 4-Fluoropropiophenone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoropropiophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Fluoropropiophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluoropropiophenone has 0 hydrogen bond donor(s) and 2 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 4-Fluoropropiophenone?
The CAS number of 4-Fluoropropiophenone is 456-03-1.
What is the molecular formula of 4-Fluoropropiophenone?
The molecular formula of 4-Fluoropropiophenone is C9H9FO.
What is the molecular weight of 4-Fluoropropiophenone?
The molecular weight of 4-Fluoropropiophenone is 152.06 g/mol.
Where can I buy 4-Fluoropropiophenone?
You can request a quote for 4-Fluoropropiophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluoropropiophenone?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluoropropiophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.