2-Methyl-3-phenylpropionaldehyde
TL;DR: 2-Methyl-3-phenylpropionaldehyde (CAS 5445-77-2) is a chemical compound with molecular formula C10H12O and molecular weight 148.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-phenylpropanal
Also Known As: 2-Methyl-3-phenylpropanal, 2-Methyl-3-phenylpropionaldehyde, 2-Benzylpropanal, 2-Methyl-3-phenyl-propanal, alpha-Methylbenzenepropanal
| Molecular Formula | C10H12O |
|---|---|
| Molecular Weight | 148.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.08882 |
| Heavy Atoms | 11 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 5445-77-2 |
|---|---|
| SMILES | CC(CC1=CC=CC=C1)C=O |
| InChIKey | HEPHYCJJLAUKSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-3-phenylpropionaldehyde (CAS 5445-77-2), with molecular formula C10H12O and molecular weight 148.09 g/mol. IUPAC: 2-methyl-3-phenylpropanal.
Chemical Property Profile of 2-Methyl-3-phenylpropionaldehyde
Property Insights of 2-Methyl-3-phenylpropionaldehyde
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-phenylpropionaldehyde. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Methyl-3-phenylpropionaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-phenylpropionaldehyde 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 2-Methyl-3-phenylpropionaldehyde?
The CAS number of 2-Methyl-3-phenylpropionaldehyde is 5445-77-2.
What is the molecular formula of 2-Methyl-3-phenylpropionaldehyde?
The molecular formula of 2-Methyl-3-phenylpropionaldehyde is C10H12O.
What is the molecular weight of 2-Methyl-3-phenylpropionaldehyde?
The molecular weight of 2-Methyl-3-phenylpropionaldehyde is 148.09 g/mol.
Where can I buy 2-Methyl-3-phenylpropionaldehyde?
You can request a quote for 2-Methyl-3-phenylpropionaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-phenylpropionaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-phenylpropionaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.