Phenylethynyl p-methoxyphenyl ketone
TL;DR: Phenylethynyl p-methoxyphenyl ketone (CAS 16616-43-6) is a chemical compound with molecular formula C16H12O2 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-one
Also Known As: 1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-one, Phenylethynyl p-methoxyphenyl ketone, 1-(4-METHOXY-PHENYL)-3-PHENYL-PROPYNONE, 1-(4-Methoxyphenyl)-3-phenyl-2-propyn-1-one, (Phenylethynyl)4-methoxyphenyl ketone
| Molecular Formula | C16H12O2 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.08372 |
| Heavy Atoms | 18 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 16616-43-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)C#CC2=CC=CC=C2 |
| InChIKey | DDJSNTJBCFBIQV-UHFFFAOYSA-N |
Product Overview
Phenylethynyl p-methoxyphenyl ketone (CAS 16616-43-6), with molecular formula C16H12O2 and molecular weight 236.08 g/mol. IUPAC: 1-(4-methoxyphenyl)-3-phenylprop-2-yn-1-one.
Chemical Property Profile of Phenylethynyl p-methoxyphenyl ketone
Property Insights of Phenylethynyl p-methoxyphenyl ketone
The XLogP value of 3.8 indicates that Phenylethynyl p-methoxyphenyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenylethynyl p-methoxyphenyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylethynyl p-methoxyphenyl ketone 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 Phenylethynyl p-methoxyphenyl ketone?
The CAS number of Phenylethynyl p-methoxyphenyl ketone is 16616-43-6.
What is the molecular formula of Phenylethynyl p-methoxyphenyl ketone?
The molecular formula of Phenylethynyl p-methoxyphenyl ketone is C16H12O2.
What is the molecular weight of Phenylethynyl p-methoxyphenyl ketone?
The molecular weight of Phenylethynyl p-methoxyphenyl ketone is 236.08 g/mol.
Where can I buy Phenylethynyl p-methoxyphenyl ketone?
You can request a quote for Phenylethynyl p-methoxyphenyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylethynyl p-methoxyphenyl ketone?
Yes, KEHONG BIO provides custom synthesis services for Phenylethynyl p-methoxyphenyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.