4'-Fluorobutyrophenone
TL;DR: 4'-Fluorobutyrophenone (CAS 582-83-2) is a chemical compound with molecular formula C10H11FO and molecular weight 166.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)butan-1-one
Also Known As: 4'-Fluorobutyrophenone, 1-(4-fluorophenyl)butan-1-one, p-Fluorobutyrophenone, 1-(4-Fluorophenyl)-1-butanone, Butyrophenone, 4'-fluoro-
| Molecular Formula | C10H11FO |
|---|---|
| Molecular Weight | 166.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.07939 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 582-83-2 |
|---|---|
| SMILES | CCCC(=O)C1=CC=C(C=C1)F |
| InChIKey | QHDXPJMOWRLLRV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Fluorobutyrophenone (CAS 582-83-2), with molecular formula C10H11FO and molecular weight 166.08 g/mol. IUPAC: 1-(4-fluorophenyl)butan-1-one.
Chemical Property Profile of 4'-Fluorobutyrophenone
Property Insights of 4'-Fluorobutyrophenone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Fluorobutyrophenone. With a topological polar surface area (TPSA) of 17.1 Ų, 4'-Fluorobutyrophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Fluorobutyrophenone 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'-Fluorobutyrophenone?
The CAS number of 4'-Fluorobutyrophenone is 582-83-2.
What is the molecular formula of 4'-Fluorobutyrophenone?
The molecular formula of 4'-Fluorobutyrophenone is C10H11FO.
What is the molecular weight of 4'-Fluorobutyrophenone?
The molecular weight of 4'-Fluorobutyrophenone is 166.08 g/mol.
Where can I buy 4'-Fluorobutyrophenone?
You can request a quote for 4'-Fluorobutyrophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Fluorobutyrophenone?
Yes, KEHONG BIO provides custom synthesis services for 4'-Fluorobutyrophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.