1,4-Diphenylbut-3-yn-2-one
TL;DR: 1,4-Diphenylbut-3-yn-2-one (CAS 21772-11-2) is a chemical compound with molecular formula C16H12O and molecular weight 220.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-diphenylbut-3-yn-2-one
Also Known As: 1,4-diphenylbut-3-yn-2-one, Phenylethynylbenzyl ketone, Benzyl(phenylethynyl) ketone, 1,4-diphenyl-3-butyn-2-one, 1,4-Diphenyl-1-butyn-3-one
| Molecular Formula | C16H12O |
|---|---|
| Molecular Weight | 220.09 g/mol |
| LogP | 2.8499 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.08882 |
| Heavy Atoms | 17 |
| Complexity | 544.3291 |
Chemical Identifiers
| CAS Number | 21772-11-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)C#CC2=CC=CC=C2 |
Product Overview
1,4-Diphenylbut-3-yn-2-one (CAS 21772-11-2), with molecular formula C16H12O and molecular weight 220.09 g/mol. IUPAC: 1,4-diphenylbut-3-yn-2-one.
Chemical Property Profile of 1,4-Diphenylbut-3-yn-2-one
Property Insights of 1,4-Diphenylbut-3-yn-2-one
The XLogP value of 2.8499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Diphenylbut-3-yn-2-one. With a topological polar surface area (TPSA) of 17.07 Ų, 1,4-Diphenylbut-3-yn-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Diphenylbut-3-yn-2-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 1,4-Diphenylbut-3-yn-2-one?
The CAS number of 1,4-Diphenylbut-3-yn-2-one is 21772-11-2.
What is the molecular formula of 1,4-Diphenylbut-3-yn-2-one?
The molecular formula of 1,4-Diphenylbut-3-yn-2-one is C16H12O.
What is the molecular weight of 1,4-Diphenylbut-3-yn-2-one?
The molecular weight of 1,4-Diphenylbut-3-yn-2-one is 220.09 g/mol.
Where can I buy 1,4-Diphenylbut-3-yn-2-one?
You can request a quote for 1,4-Diphenylbut-3-yn-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diphenylbut-3-yn-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diphenylbut-3-yn-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.