Ethyl isatin-N-acetate
TL;DR: Ethyl isatin-N-acetate (CAS 41042-21-1) is a chemical compound with molecular formula C12H11NO4 and molecular weight 233.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-(2,3-dioxoindol-1-yl)acetate
Also Known As: ethyl 2-(2,3-dioxoindolin-1-yl)acetate, Ethyl isatin-N-acetate, Ethyl (2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate, ethyl 2-(2,3-dioxoindol-1-yl)acetate, ethyl 2-(2,3-dioxo-2,3-dihydro-1H-indol-1-yl)acetate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H11NO4 |
| Molecular Weight | 233.0688 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.0688 Da |
| Heavy Atoms | 17 |
| Complexity | 352.0 |
| SMILES | CCOC(=O)CN1C2=CC=CC=C2C(=O)C1=O |
| InChIKey | PTKZJSSZZSMJPS-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl isatin-N-acetate
Property Insights of Ethyl isatin-N-acetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl isatin-N-acetate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl isatin-N-acetate. Following Lipinski's Rule of Five, Ethyl isatin-N-acetate has 0 hydrogen bond donor(s) and 4 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 isatin-N-acetate?
The CAS number of Ethyl isatin-N-acetate is 41042-21-1.
What is the molecular formula of Ethyl isatin-N-acetate?
The molecular formula of Ethyl isatin-N-acetate is C12H11NO4.
What is the molecular weight of Ethyl isatin-N-acetate?
The molecular weight of Ethyl isatin-N-acetate is 233.0688 g/mol.
Where can I buy Ethyl isatin-N-acetate?
You can request a quote for Ethyl isatin-N-acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl isatin-N-acetate?
Yes, CoreyChem provides custom synthesis services for Ethyl isatin-N-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.