Benzenepropanal, beta-methyl-3-(1-methylethenyl)-
TL;DR: Benzenepropanal, beta-methyl-3-(1-methylethenyl)- (CAS 125109-84-4) is a chemical compound with molecular formula C13H16O and molecular weight 188.12012 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(3-prop-1-en-2-ylphenyl)butanal
Also Known As: 3-(3-Isopropenylphenyl)butanal, 3-(3-propen-2-ylphenyl)butanal, Butanal, 3-(3-(1-methylethenyl)phenyl)-, 3-(3-prop-1-en-2-ylphenyl)butanal, Benzenepropanal, beta-methyl-3-(1-methylethenyl)-
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H16O |
| Molecular Weight | 188.12012 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 188.12012 Da |
| Heavy Atoms | 14 |
| Complexity | 207.0 |
| SMILES | CC(CC=O)C1=CC(=CC=C1)C(=C)C |
| InChIKey | YYANKIXCOSAFMF-UHFFFAOYSA-N |
Chemical Property Profile of Benzenepropanal, beta-methyl-3-(1-methylethenyl)-
Property Insights of Benzenepropanal, beta-methyl-3-(1-methylethenyl)-
The XLogP value of 3.3 indicates that Benzenepropanal, beta-methyl-3-(1-methylethenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Benzenepropanal, beta-methyl-3-(1-methylethenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzenepropanal, beta-methyl-3-(1-methylethenyl)- 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
What is the CAS number of Benzenepropanal, beta-methyl-3-(1-methylethenyl)-?
The CAS number of Benzenepropanal, beta-methyl-3-(1-methylethenyl)- is 125109-84-4.
What is the molecular formula of Benzenepropanal, beta-methyl-3-(1-methylethenyl)-?
The molecular formula of Benzenepropanal, beta-methyl-3-(1-methylethenyl)- is C13H16O.
What is the molecular weight of Benzenepropanal, beta-methyl-3-(1-methylethenyl)-?
The molecular weight of Benzenepropanal, beta-methyl-3-(1-methylethenyl)- is 188.12012 g/mol.
Where can I buy Benzenepropanal, beta-methyl-3-(1-methylethenyl)-?
You can request a quote for Benzenepropanal, beta-methyl-3-(1-methylethenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzenepropanal, beta-methyl-3-(1-methylethenyl)-?
Yes, CoreyChem provides custom synthesis services for Benzenepropanal, beta-methyl-3-(1-methylethenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.