3-(4-Chlorophenyl)-1-phenylprop-2-yn-1-one
TL;DR: 3-(4-Chlorophenyl)-1-phenylprop-2-yn-1-one (CAS 29776-35-0) is a chemical compound with molecular formula C15H9ClO and molecular weight 240.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1-phenylprop-2-yn-1-one
Also Known As: 3-(4-chlorophenyl)-1-phenylprop-2-yn-1-one, Phenyl p-chlorophenylethynyl ketone, beta-(4-Chlorophenyl)propiolophenone, Phenyl(4-chlorophenylethynyl) ketone, 3-(4-Chlorophenyl)-1-phenyl-2-propyn-1-one
| Molecular Formula | C15H9ClO |
|---|---|
| Molecular Weight | 240.03 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.0342 |
| Heavy Atoms | 17 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 29776-35-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C#CC2=CC=C(C=C2)Cl |
| InChIKey | BTSRWVQHIOZQAE-UHFFFAOYSA-N |
Product Overview
3-(4-Chlorophenyl)-1-phenylprop-2-yn-1-one (CAS 29776-35-0), with molecular formula C15H9ClO and molecular weight 240.03 g/mol. IUPAC: 3-(4-chlorophenyl)-1-phenylprop-2-yn-1-one.
Chemical Property Profile of 3-(4-Chlorophenyl)-1-phenylprop-2-yn-1-one
Property Insights of 3-(4-Chlorophenyl)-1-phenylprop-2-yn-1-one
The XLogP value of 4.5 indicates that 3-(4-Chlorophenyl)-1-phenylprop-2-yn-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-(4-Chlorophenyl)-1-phenylprop-2-yn-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-1-phenylprop-2-yn-1-one 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 3-(4-Chlorophenyl)-1-phenylprop-2-yn-1-one?
The CAS number of 3-(4-Chlorophenyl)-1-phenylprop-2-yn-1-one is 29776-35-0.
What is the molecular formula of 3-(4-Chlorophenyl)-1-phenylprop-2-yn-1-one?
The molecular formula of 3-(4-Chlorophenyl)-1-phenylprop-2-yn-1-one is C15H9ClO.
What is the molecular weight of 3-(4-Chlorophenyl)-1-phenylprop-2-yn-1-one?
The molecular weight of 3-(4-Chlorophenyl)-1-phenylprop-2-yn-1-one is 240.03 g/mol.
Where can I buy 3-(4-Chlorophenyl)-1-phenylprop-2-yn-1-one?
You can request a quote for 3-(4-Chlorophenyl)-1-phenylprop-2-yn-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chlorophenyl)-1-phenylprop-2-yn-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chlorophenyl)-1-phenylprop-2-yn-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.