3-Methyl-1-(4-methylphenyl)but-2-en-1-one
TL;DR: 3-Methyl-1-(4-methylphenyl)but-2-en-1-one (CAS 14618-89-4) is a chemical compound with molecular formula C12H14O and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-(4-methylphenyl)but-2-en-1-one
Also Known As: 3-methyl-1-(4-methylphenyl)but-2-en-1-one, Isobutenyl(4-methylphenyl) ketone, 3-Methyl-1-(p-tolyl)but-2-en-1-one, 4-Methylphenyl 2-methyl-1-propenyl ketone, 3-methyl-1-(4-methylphenyl)-2-buten-1-one
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 3.14392 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 174.10446 |
| Heavy Atoms | 13 |
| Complexity | 326.64703 |
Chemical Identifiers
| CAS Number | 14618-89-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C=C(C)C |
Product Overview
3-Methyl-1-(4-methylphenyl)but-2-en-1-one (CAS 14618-89-4), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: 3-methyl-1-(4-methylphenyl)but-2-en-1-one.
Chemical Property Profile of 3-Methyl-1-(4-methylphenyl)but-2-en-1-one
Property Insights of 3-Methyl-1-(4-methylphenyl)but-2-en-1-one
The XLogP value of 3.14392 indicates that 3-Methyl-1-(4-methylphenyl)but-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3-Methyl-1-(4-methylphenyl)but-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-1-(4-methylphenyl)but-2-en-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-Methyl-1-(4-methylphenyl)but-2-en-1-one?
The CAS number of 3-Methyl-1-(4-methylphenyl)but-2-en-1-one is 14618-89-4.
What is the molecular formula of 3-Methyl-1-(4-methylphenyl)but-2-en-1-one?
The molecular formula of 3-Methyl-1-(4-methylphenyl)but-2-en-1-one is C12H14O.
What is the molecular weight of 3-Methyl-1-(4-methylphenyl)but-2-en-1-one?
The molecular weight of 3-Methyl-1-(4-methylphenyl)but-2-en-1-one is 174.10 g/mol.
Where can I buy 3-Methyl-1-(4-methylphenyl)but-2-en-1-one?
You can request a quote for 3-Methyl-1-(4-methylphenyl)but-2-en-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-Methyl-1-(4-methylphenyl)but-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-(4-methylphenyl)but-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.