3-(p-Cumenyl)-2-methylpropionaldehyde
TL;DR: 3-(p-Cumenyl)-2-methylpropionaldehyde (CAS 6658-48-6) is a chemical compound with molecular formula C14H20O and molecular weight 204.15141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-3-[4-(2-methylpropyl)phenyl]propanal
Also Known As: 3-(4-isobutylphenyl)-2-methylpropanal, cyclamen homoaldehyde, 3-(p-Cumenyl)-2-methylpropionaldehyde, 2-methyl-3-[4-(2-methylpropyl)phenyl]propanal, P-ISOBUTYL-ALPHA-METHYLHYDROCINNAMALDEHYDE
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H20O |
| Molecular Weight | 204.15141 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 204.15141 Da |
| Heavy Atoms | 15 |
| Complexity | 178.0 |
| SMILES | CC(C)CC1=CC=C(C=C1)CC(C)C=O |
| InChIKey | YLIXVKUWWOQREC-UHFFFAOYSA-N |
Chemical Property Profile of 3-(p-Cumenyl)-2-methylpropionaldehyde
Property Insights of 3-(p-Cumenyl)-2-methylpropionaldehyde
The XLogP value of 3.8 indicates that 3-(p-Cumenyl)-2-methylpropionaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-(p-Cumenyl)-2-methylpropionaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(p-Cumenyl)-2-methylpropionaldehyde 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 3-(p-Cumenyl)-2-methylpropionaldehyde?
The CAS number of 3-(p-Cumenyl)-2-methylpropionaldehyde is 6658-48-6.
What is the molecular formula of 3-(p-Cumenyl)-2-methylpropionaldehyde?
The molecular formula of 3-(p-Cumenyl)-2-methylpropionaldehyde is C14H20O.
What is the molecular weight of 3-(p-Cumenyl)-2-methylpropionaldehyde?
The molecular weight of 3-(p-Cumenyl)-2-methylpropionaldehyde is 204.15141 g/mol.
Where can I buy 3-(p-Cumenyl)-2-methylpropionaldehyde?
You can request a quote for 3-(p-Cumenyl)-2-methylpropionaldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(p-Cumenyl)-2-methylpropionaldehyde?
Yes, CoreyChem provides custom synthesis services for 3-(p-Cumenyl)-2-methylpropionaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.