3-Methyl-4-phenyl-3-buten-2-one
TL;DR: 3-Methyl-4-phenyl-3-buten-2-one (CAS 42968-14-9) is a chemical compound with molecular formula C11H12O and molecular weight 160.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-methyl-4-phenylbut-3-en-2-one
Also Known As: 3-methyl-4-phenylbut-3-en-2-one, Methylbenzylideneacetone, 3-Benzylidene-2-butenone, 3-METHYL-4-PHENYL-3-BUTEN-2-ONE, Benzylidene methyl ethyl ketone
| Molecular Formula | C11H12O |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 2.6789 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.08882 |
| Heavy Atoms | 12 |
| Complexity | 296.03998 |
Chemical Identifiers
| CAS Number | 42968-14-9 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C(=O)C |
Product Overview
3-Methyl-4-phenyl-3-buten-2-one (CAS 42968-14-9), with molecular formula C11H12O and molecular weight 160.09 g/mol. IUPAC: (E)-3-methyl-4-phenylbut-3-en-2-one.
Chemical Property Profile of 3-Methyl-4-phenyl-3-buten-2-one
Property Insights of 3-Methyl-4-phenyl-3-buten-2-one
The XLogP value of 2.6789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-phenyl-3-buten-2-one. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Methyl-4-phenyl-3-buten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-phenyl-3-buten-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 3-Methyl-4-phenyl-3-buten-2-one?
The CAS number of 3-Methyl-4-phenyl-3-buten-2-one is 42968-14-9.
What is the molecular formula of 3-Methyl-4-phenyl-3-buten-2-one?
The molecular formula of 3-Methyl-4-phenyl-3-buten-2-one is C11H12O.
What is the molecular weight of 3-Methyl-4-phenyl-3-buten-2-one?
The molecular weight of 3-Methyl-4-phenyl-3-buten-2-one is 160.09 g/mol.
Where can I buy 3-Methyl-4-phenyl-3-buten-2-one?
You can request a quote for 3-Methyl-4-phenyl-3-buten-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-phenyl-3-buten-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-phenyl-3-buten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.