3-(4-Fluorobenzoyl)propyl chloride
TL;DR: 3-(4-Fluorobenzoyl)propyl chloride (CAS 3874-54-2) is a chemical compound with molecular formula C10H10ClFO and molecular weight 200.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-(4-fluorophenyl)butan-1-one
Also Known As: 4-Chloro-4'-fluorobutyrophenone, 4-chloro-1-(4-fluorophenyl)butan-1-one, 4-chloro-4-fluorobutyrophenone, 4-Fluorobenzoylpropyl chloride, 3-(4-Fluorobenzoyl)propyl chloride
| Molecular Formula | C10H10ClFO |
|---|---|
| Molecular Weight | 200.04 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.04042 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 3874-54-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CCCCl)F |
| InChIKey | HXAOUYGZEOZTJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-Fluorobenzoyl)propyl chloride (CAS 3874-54-2), with molecular formula C10H10ClFO and molecular weight 200.04 g/mol. IUPAC: 4-chloro-1-(4-fluorophenyl)butan-1-one.
Chemical Property Profile of 3-(4-Fluorobenzoyl)propyl chloride
Property Insights of 3-(4-Fluorobenzoyl)propyl chloride
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Fluorobenzoyl)propyl chloride. With a topological polar surface area (TPSA) of 17.1 Ų, 3-(4-Fluorobenzoyl)propyl chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluorobenzoyl)propyl chloride 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 3-(4-Fluorobenzoyl)propyl chloride?
The CAS number of 3-(4-Fluorobenzoyl)propyl chloride is 3874-54-2.
What is the molecular formula of 3-(4-Fluorobenzoyl)propyl chloride?
The molecular formula of 3-(4-Fluorobenzoyl)propyl chloride is C10H10ClFO.
What is the molecular weight of 3-(4-Fluorobenzoyl)propyl chloride?
The molecular weight of 3-(4-Fluorobenzoyl)propyl chloride is 200.04 g/mol.
Where can I buy 3-(4-Fluorobenzoyl)propyl chloride?
You can request a quote for 3-(4-Fluorobenzoyl)propyl chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Fluorobenzoyl)propyl chloride?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluorobenzoyl)propyl chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.