Methyl 3-(2-methylphenyl)-3-oxopropanoate
TL;DR: Methyl 3-(2-methylphenyl)-3-oxopropanoate (CAS 147501-26-6) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(2-methylphenyl)-3-oxopropanoate
Also Known As: Not Available, methyl 3-(2-methylphenyl)-3-oxopropanoate, Methyl 3-oxo-3-(o-tolyl)propanoate, Methyl 3-Oxo-3-(2-methylphenyl)propionate, methyl 3-oxo-3-o-tolylpropanoate
Technical Specifications
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.07864 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 192.07864 Da |
| Heavy Atoms | 14 |
| Complexity | 223.0 |
| SMILES | CC1=CC=CC=C1C(=O)CC(=O)OC |
| InChIKey | JWIUIMDIPDFRDI-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-(2-methylphenyl)-3-oxopropanoate
Property Insights of Methyl 3-(2-methylphenyl)-3-oxopropanoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(2-methylphenyl)-3-oxopropanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 3-(2-methylphenyl)-3-oxopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-(2-methylphenyl)-3-oxopropanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 3-(2-methylphenyl)-3-oxopropanoate?
The CAS number of Methyl 3-(2-methylphenyl)-3-oxopropanoate is 147501-26-6.
What is the molecular formula of Methyl 3-(2-methylphenyl)-3-oxopropanoate?
The molecular formula of Methyl 3-(2-methylphenyl)-3-oxopropanoate is C11H12O3.
What is the molecular weight of Methyl 3-(2-methylphenyl)-3-oxopropanoate?
The molecular weight of Methyl 3-(2-methylphenyl)-3-oxopropanoate is 192.07864 g/mol.
Where can I buy Methyl 3-(2-methylphenyl)-3-oxopropanoate?
You can request a quote for Methyl 3-(2-methylphenyl)-3-oxopropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-(2-methylphenyl)-3-oxopropanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-(2-methylphenyl)-3-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.