Chloromethyl ethyl ketone
TL;DR: Chloromethyl ethyl ketone (CAS 616-27-3) is a chemical compound with molecular formula C4H7ClO and molecular weight 106.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chlorobutan-2-one
Also Known As: 1-Chlorobutan-2-one, 1-CHLOROBUTANONE, 1-Chloro-2-butanone, 2-Butanone, 1-chloro-, chloromethyl ethyl ketone
| Molecular Formula | C4H7ClO |
|---|---|
| Molecular Weight | 106.02 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 106.01854 |
| Heavy Atoms | 6 |
| Complexity | 51.0 |
Chemical Identifiers
| CAS Number | 616-27-3 |
|---|---|
| SMILES | CCC(=O)CCl |
| InChIKey | AALRHBLMAVGWRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloromethyl ethyl ketone (CAS 616-27-3), with molecular formula C4H7ClO and molecular weight 106.02 g/mol. IUPAC: 1-chlorobutan-2-one.
Chemical Property Profile of Chloromethyl ethyl ketone
Property Insights of Chloromethyl ethyl ketone
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloromethyl ethyl ketone. With a topological polar surface area (TPSA) of 17.1 Ų, Chloromethyl ethyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloromethyl ethyl ketone has 0 hydrogen bond donor(s) and 1 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 Chloromethyl ethyl ketone?
The CAS number of Chloromethyl ethyl ketone is 616-27-3.
What is the molecular formula of Chloromethyl ethyl ketone?
The molecular formula of Chloromethyl ethyl ketone is C4H7ClO.
What is the molecular weight of Chloromethyl ethyl ketone?
The molecular weight of Chloromethyl ethyl ketone is 106.02 g/mol.
Where can I buy Chloromethyl ethyl ketone?
You can request a quote for Chloromethyl ethyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloromethyl ethyl ketone?
Yes, KEHONG BIO provides custom synthesis services for Chloromethyl ethyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.