Methyl 4-(3-methylphenyl)-4-oxobutanoate
TL;DR: Methyl 4-(3-methylphenyl)-4-oxobutanoate (CAS 160723-51-3) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-(3-methylphenyl)-4-oxobutanoate
Also Known As: methyl 4-(3-methylphenyl)-4-oxobutanoate, methyl 4-oxo-4-m-tolylbutanoate, Methyl 4-oxo-4-(m-tolyl)butanoate, Methyl 4-(3-methylphenyl)-4-oxobutyrate, Methyl4-oxo-4-(m-tolyl)butanoate
Technical Specifications
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.0943 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.0943 Da |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
| SMILES | CC1=CC(=CC=C1)C(=O)CCC(=O)OC |
| InChIKey | XONSIBBOGNURFC-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-(3-methylphenyl)-4-oxobutanoate
Property Insights of Methyl 4-(3-methylphenyl)-4-oxobutanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(3-methylphenyl)-4-oxobutanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 4-(3-methylphenyl)-4-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(3-methylphenyl)-4-oxobutanoate 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 4-(3-methylphenyl)-4-oxobutanoate?
The CAS number of Methyl 4-(3-methylphenyl)-4-oxobutanoate is 160723-51-3.
What is the molecular formula of Methyl 4-(3-methylphenyl)-4-oxobutanoate?
The molecular formula of Methyl 4-(3-methylphenyl)-4-oxobutanoate is C12H14O3.
What is the molecular weight of Methyl 4-(3-methylphenyl)-4-oxobutanoate?
The molecular weight of Methyl 4-(3-methylphenyl)-4-oxobutanoate is 206.0943 g/mol.
Where can I buy Methyl 4-(3-methylphenyl)-4-oxobutanoate?
You can request a quote for Methyl 4-(3-methylphenyl)-4-oxobutanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-(3-methylphenyl)-4-oxobutanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-(3-methylphenyl)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.