p-Chlorophenyl methylethynyl ketone
TL;DR: p-Chlorophenyl methylethynyl ketone (CAS 39180-27-3) is a chemical compound with molecular formula C10H7ClO and molecular weight 178.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)but-2-yn-1-one
Also Known As: 1-Propynyl-p-chlorphenylketon, p-Chlorophenyl methylethynyl ketone, 1-(4-chlorophenyl)but-2-yn-1-one, 1-(4-Chlorophenyl)-2-butyn-1-one, 1-(4-Chlorophenyl)-2-butyn-1-one #
| Molecular Formula | C10H7ClO |
|---|---|
| Molecular Weight | 178.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.01854 |
| Heavy Atoms | 12 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 39180-27-3 |
|---|---|
| SMILES | CC#CC(=O)C1=CC=C(C=C1)Cl |
| InChIKey | FXWNBJBJBRTSHL-UHFFFAOYSA-N |
Product Overview
p-Chlorophenyl methylethynyl ketone (CAS 39180-27-3), with molecular formula C10H7ClO and molecular weight 178.02 g/mol. IUPAC: 1-(4-chlorophenyl)but-2-yn-1-one.
Chemical Property Profile of p-Chlorophenyl methylethynyl ketone
Property Insights of p-Chlorophenyl methylethynyl ketone
The XLogP value of 3.3 indicates that p-Chlorophenyl methylethynyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, p-Chlorophenyl methylethynyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, p-Chlorophenyl methylethynyl 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 p-Chlorophenyl methylethynyl ketone?
The CAS number of p-Chlorophenyl methylethynyl ketone is 39180-27-3.
What is the molecular formula of p-Chlorophenyl methylethynyl ketone?
The molecular formula of p-Chlorophenyl methylethynyl ketone is C10H7ClO.
What is the molecular weight of p-Chlorophenyl methylethynyl ketone?
The molecular weight of p-Chlorophenyl methylethynyl ketone is 178.02 g/mol.
Where can I buy p-Chlorophenyl methylethynyl ketone?
You can request a quote for p-Chlorophenyl methylethynyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Chlorophenyl methylethynyl ketone?
Yes, KEHONG BIO provides custom synthesis services for p-Chlorophenyl methylethynyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.