2-Methyl-3-(o-tolyl)propanal
TL;DR: 2-Methyl-3-(o-tolyl)propanal (CAS 57918-84-0) is a chemical compound with molecular formula C11H14O and molecular weight 162.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-3-(2-methylphenyl)propanal
Also Known As: 2-Methyl-3-(o-tolyl)propanal, 2-methyl-3-(2-methylphenyl)propanal, 2-Methyl-3-(o-tolyl)propionaldehyde, 2-methyl-3-o-tolylpropanal, benzenepropanal,
| Molecular Formula | C11H14O |
|---|---|
| Molecular Weight | 162.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 162.10446 |
| Heavy Atoms | 12 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 57918-84-0 |
|---|---|
| SMILES | CC1=CC=CC=C1CC(C)C=O |
| InChIKey | PFTIYHYMOUKOHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-3-(o-tolyl)propanal (CAS 57918-84-0), with molecular formula C11H14O and molecular weight 162.10 g/mol. IUPAC: 2-methyl-3-(2-methylphenyl)propanal.
Chemical Property Profile of 2-Methyl-3-(o-tolyl)propanal
Property Insights of 2-Methyl-3-(o-tolyl)propanal
The XLogP value of 3.0 indicates that 2-Methyl-3-(o-tolyl)propanal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Methyl-3-(o-tolyl)propanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-(o-tolyl)propanal 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-(o-tolyl)propanal?
The CAS number of 2-Methyl-3-(o-tolyl)propanal is 57918-84-0.
What is the molecular formula of 2-Methyl-3-(o-tolyl)propanal?
The molecular formula of 2-Methyl-3-(o-tolyl)propanal is C11H14O.
What is the molecular weight of 2-Methyl-3-(o-tolyl)propanal?
The molecular weight of 2-Methyl-3-(o-tolyl)propanal is 162.10 g/mol.
Where can I buy 2-Methyl-3-(o-tolyl)propanal?
You can request a quote for 2-Methyl-3-(o-tolyl)propanal 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-(o-tolyl)propanal?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-(o-tolyl)propanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.