4-Methylphenylglyoxal
TL;DR: 4-Methylphenylglyoxal (CAS 16267-32-6) is a chemical compound with molecular formula C9H8O2 and molecular weight 148.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methylphenyl)-2-oxoacetaldehyde
Also Known As: 4-methylphenylglyoxal, p-Tolylglyoxal, 2-Oxo-2-(p-tolyl)acetaldehyde, Glyoxal, 4-methylphenyl-, 2-(4-methylphenyl)-2-oxoacetaldehyde
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8O2 |
| Molecular Weight | 148.05243 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 148.05243 Da |
| Heavy Atoms | 11 |
| Complexity | 155.0 |
| SMILES | CC1=CC=C(C=C1)C(=O)C=O |
| InChIKey | NGKHHEDLAUNMFD-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methylphenylglyoxal
Property Insights of 4-Methylphenylglyoxal
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylphenylglyoxal. With a topological polar surface area (TPSA) of 34.1 Ų, 4-Methylphenylglyoxal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylphenylglyoxal has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Methylphenylglyoxal?
The CAS number of 4-Methylphenylglyoxal is 16267-32-6.
What is the molecular formula of 4-Methylphenylglyoxal?
The molecular formula of 4-Methylphenylglyoxal is C9H8O2.
What is the molecular weight of 4-Methylphenylglyoxal?
The molecular weight of 4-Methylphenylglyoxal is 148.05243 g/mol.
Where can I buy 4-Methylphenylglyoxal?
You can request a quote for 4-Methylphenylglyoxal directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methylphenylglyoxal?
Yes, CoreyChem provides custom synthesis services for 4-Methylphenylglyoxal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.