3-Methyl-4-phenylbutyraldehyde
TL;DR: 3-Methyl-4-phenylbutyraldehyde (CAS 13881-14-6) is a chemical compound with molecular formula C11H14O and molecular weight 162.10446 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-4-phenylbutanal
Also Known As: 3-methyl-4-phenylbutanal, 3-Methyl-4-phenylbutyraldehyde, beta-Methylbenzenebutanal, Benzenebutanal, b-methyl-, .BETA.-METHYLBENZENEBUTANAL
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14O |
| Molecular Weight | 162.10446 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.10446 Da |
| Heavy Atoms | 12 |
| Complexity | 125.0 |
| SMILES | CC(CC=O)CC1=CC=CC=C1 |
| InChIKey | GNQAZNILNLQRJV-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyl-4-phenylbutyraldehyde
Property Insights of 3-Methyl-4-phenylbutyraldehyde
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-phenylbutyraldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Methyl-4-phenylbutyraldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-phenylbutyraldehyde 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-Methyl-4-phenylbutyraldehyde?
The CAS number of 3-Methyl-4-phenylbutyraldehyde is 13881-14-6.
What is the molecular formula of 3-Methyl-4-phenylbutyraldehyde?
The molecular formula of 3-Methyl-4-phenylbutyraldehyde is C11H14O.
What is the molecular weight of 3-Methyl-4-phenylbutyraldehyde?
The molecular weight of 3-Methyl-4-phenylbutyraldehyde is 162.10446 g/mol.
Where can I buy 3-Methyl-4-phenylbutyraldehyde?
You can request a quote for 3-Methyl-4-phenylbutyraldehyde directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-4-phenylbutyraldehyde?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-4-phenylbutyraldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.