Benzylidenemethyl ethyl ketone
TL;DR: Benzylidenemethyl ethyl ketone (CAS 66551-91-5) 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)-1-phenylpent-1-en-3-one
Also Known As: 1-Phenyl-1-penten-3-one, Aethylstyrylketon, Ethyl styryl ketone, Styryl ethyl ketone, 1-Phenylpent-1-en-3-one
| 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 | 3 |
| Exact Mass | 160.08882 |
| Heavy Atoms | 12 |
| Complexity | 272.3154 |
Chemical Identifiers
| CAS Number | 66551-91-5 |
|---|---|
| SMILES | CCC(=O)/C=C/C1=CC=CC=C1 |
Product Overview
Benzylidenemethyl ethyl ketone (CAS 66551-91-5), with molecular formula C11H12O and molecular weight 160.09 g/mol. IUPAC: (E)-1-phenylpent-1-en-3-one.
Chemical Property Profile of Benzylidenemethyl ethyl ketone
Property Insights of Benzylidenemethyl ethyl ketone
The XLogP value of 2.6789 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzylidenemethyl ethyl ketone. With a topological polar surface area (TPSA) of 17.07 Ų, Benzylidenemethyl ethyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylidenemethyl ethyl 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 Benzylidenemethyl ethyl ketone?
The CAS number of Benzylidenemethyl ethyl ketone is 66551-91-5.
What is the molecular formula of Benzylidenemethyl ethyl ketone?
The molecular formula of Benzylidenemethyl ethyl ketone is C11H12O.
What is the molecular weight of Benzylidenemethyl ethyl ketone?
The molecular weight of Benzylidenemethyl ethyl ketone is 160.09 g/mol.
Where can I buy Benzylidenemethyl ethyl ketone?
You can request a quote for Benzylidenemethyl ethyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylidenemethyl ethyl ketone?
Yes, KEHONG BIO provides custom synthesis services for Benzylidenemethyl ethyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.