Ethyl 3,5-dimethylbenzoylformate
TL;DR: Ethyl 3,5-dimethylbenzoylformate (CAS 100117-62-2) 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.
ethyl 2-(3,5-dimethylphenyl)-2-oxoacetate
Also Known As: Ethyl 3,5-dimethylbenzoylformate, ethyl 2-(3,5-dimethylphenyl)-2-oxoacetate, Ethyl3,5-dimethylbenzoylformate, Ethyl (3,5-dimethylphenyl)(oxo)acetate, ethyl 2-(3,5-dimethylphenyl)-2-oxo-acetate
Technical Specifications
| Molecular Formula | C12H14O3 |
| Molecular Weight | 206.0943 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.0943 Da |
| Heavy Atoms | 15 |
| Complexity | 237.0 |
| SMILES | CCOC(=O)C(=O)C1=CC(=CC(=C1)C)C |
| InChIKey | FSLQIQOXXSVLCU-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 3,5-dimethylbenzoylformate
Property Insights of Ethyl 3,5-dimethylbenzoylformate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,5-dimethylbenzoylformate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 3,5-dimethylbenzoylformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,5-dimethylbenzoylformate 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 Ethyl 3,5-dimethylbenzoylformate?
The CAS number of Ethyl 3,5-dimethylbenzoylformate is 100117-62-2.
What is the molecular formula of Ethyl 3,5-dimethylbenzoylformate?
The molecular formula of Ethyl 3,5-dimethylbenzoylformate is C12H14O3.
What is the molecular weight of Ethyl 3,5-dimethylbenzoylformate?
The molecular weight of Ethyl 3,5-dimethylbenzoylformate is 206.0943 g/mol.
Where can I buy Ethyl 3,5-dimethylbenzoylformate?
You can request a quote for Ethyl 3,5-dimethylbenzoylformate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 3,5-dimethylbenzoylformate?
Yes, CoreyChem provides custom synthesis services for Ethyl 3,5-dimethylbenzoylformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.