ethyl N-((2Z)-2-cyano-2-(ethoxymethylidene)acetyl)carbamate
TL;DR: ethyl N-((2Z)-2-cyano-2-(ethoxymethylidene)acetyl)carbamate (CAS 1187-34-4) is a chemical compound with molecular formula C9H12N2O4 and molecular weight 212.07971 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl N-[(Z)-2-cyano-3-ethoxyprop-2-enoyl]carbamate
Also Known As: (Z)-Ethyl (2-cyano-3-ethoxyacryloyl)carbamate, ethyl N-[(2Z)-2-cyano-2-(ethoxymethylidene)acetyl]carbamate, ethyl N-[(Z)-2-cyano-3-ethoxyprop-2-enoyl]carbamate, ethyl N-(2-cyano-3-ethoxyacryloyl)carbamate, (Z)-Ethyl(2-cyano-3-ethoxyacryloyl)carbamate
Technical Specifications
| Molecular Formula | C9H12N2O4 |
| Molecular Weight | 212.07971 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 88.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 212.07971 Da |
| Heavy Atoms | 15 |
| Complexity | 313.0 |
| SMILES | CCO/C=C(/C#N)\C(=O)NC(=O)OCC |
| InChIKey | JNZGHWBZWCEXEJ-SREVYHEPSA-N |
Chemical Property Profile of ethyl N-((2Z)-2-cyano-2-(ethoxymethylidene)acetyl)carbamate
Property Insights of ethyl N-((2Z)-2-cyano-2-(ethoxymethylidene)acetyl)carbamate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-((2Z)-2-cyano-2-(ethoxymethylidene)acetyl)carbamate. The TPSA of 88.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-((2Z)-2-cyano-2-(ethoxymethylidene)acetyl)carbamate. Following Lipinski's Rule of Five, ethyl N-((2Z)-2-cyano-2-(ethoxymethylidene)acetyl)carbamate has 1 hydrogen bond donor(s) and 5 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 N-((2Z)-2-cyano-2-(ethoxymethylidene)acetyl)carbamate?
The CAS number of ethyl N-((2Z)-2-cyano-2-(ethoxymethylidene)acetyl)carbamate is 1187-34-4.
What is the molecular formula of ethyl N-((2Z)-2-cyano-2-(ethoxymethylidene)acetyl)carbamate?
The molecular formula of ethyl N-((2Z)-2-cyano-2-(ethoxymethylidene)acetyl)carbamate is C9H12N2O4.
What is the molecular weight of ethyl N-((2Z)-2-cyano-2-(ethoxymethylidene)acetyl)carbamate?
The molecular weight of ethyl N-((2Z)-2-cyano-2-(ethoxymethylidene)acetyl)carbamate is 212.07971 g/mol.
Where can I buy ethyl N-((2Z)-2-cyano-2-(ethoxymethylidene)acetyl)carbamate?
You can request a quote for ethyl N-((2Z)-2-cyano-2-(ethoxymethylidene)acetyl)carbamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl N-((2Z)-2-cyano-2-(ethoxymethylidene)acetyl)carbamate?
Yes, CoreyChem provides custom synthesis services for ethyl N-((2Z)-2-cyano-2-(ethoxymethylidene)acetyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.