Ethyl 2-acetylbenzoate
TL;DR: Ethyl 2-acetylbenzoate (CAS 103935-10-0) 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.
ethyl 2-acetylbenzoate
Also Known As: ethyl 2-acetylbenzoate, Ethyl 2-Ethanoylbenzoate, Ethyl 2-acetylbenzenecarboxylate, ethylacetylbenzenecarboxylate, Benzoic acid,2-acetyl-, ethyl ester
Technical Specifications
| Molecular Formula | C11H12O3 |
| Molecular Weight | 192.07864 g/mol |
| XLogP | 1.5 |
| 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 | CCOC(=O)C1=CC=CC=C1C(=O)C |
| InChIKey | YCJSSCAQCRQQJT-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-acetylbenzoate
Property Insights of Ethyl 2-acetylbenzoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-acetylbenzoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-acetylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-acetylbenzoate 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 2-acetylbenzoate?
The CAS number of Ethyl 2-acetylbenzoate is 103935-10-0.
What is the molecular formula of Ethyl 2-acetylbenzoate?
The molecular formula of Ethyl 2-acetylbenzoate is C11H12O3.
What is the molecular weight of Ethyl 2-acetylbenzoate?
The molecular weight of Ethyl 2-acetylbenzoate is 192.07864 g/mol.
Where can I buy Ethyl 2-acetylbenzoate?
You can request a quote for Ethyl 2-acetylbenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-acetylbenzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-acetylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.