Ethyl 2-cyano-3-(prop-2-ynylamino)prop-2-enoate
TL;DR: Ethyl 2-cyano-3-(prop-2-ynylamino)prop-2-enoate (CAS 1025259-93-1) is a chemical compound with molecular formula C9H10N2O2 and molecular weight 178.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-cyano-3-(prop-2-ynylamino)prop-2-enoate
Also Known As: Ethyl 2-cyano-3-(prop-2-ynylamino)prop-2-enoate, ethyl 2-nitrilo-3-(prop-2-ynylamino)prop-2-enoate
Technical Specifications
| Molecular Formula | C9H10N2O2 |
| Molecular Weight | 178.07423 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.07423 Da |
| Heavy Atoms | 13 |
| Complexity | 300.0 |
| SMILES | CCOC(=O)C(=CNCC#C)C#N |
| InChIKey | BNFPJOZCEZNTPL-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-cyano-3-(prop-2-ynylamino)prop-2-enoate
Property Insights of Ethyl 2-cyano-3-(prop-2-ynylamino)prop-2-enoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-3-(prop-2-ynylamino)prop-2-enoate. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-(prop-2-ynylamino)prop-2-enoate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-(prop-2-ynylamino)prop-2-enoate has 1 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 2-cyano-3-(prop-2-ynylamino)prop-2-enoate?
The CAS number of Ethyl 2-cyano-3-(prop-2-ynylamino)prop-2-enoate is 1025259-93-1.
What is the molecular formula of Ethyl 2-cyano-3-(prop-2-ynylamino)prop-2-enoate?
The molecular formula of Ethyl 2-cyano-3-(prop-2-ynylamino)prop-2-enoate is C9H10N2O2.
What is the molecular weight of Ethyl 2-cyano-3-(prop-2-ynylamino)prop-2-enoate?
The molecular weight of Ethyl 2-cyano-3-(prop-2-ynylamino)prop-2-enoate is 178.07423 g/mol.
Where can I buy Ethyl 2-cyano-3-(prop-2-ynylamino)prop-2-enoate?
You can request a quote for Ethyl 2-cyano-3-(prop-2-ynylamino)prop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-cyano-3-(prop-2-ynylamino)prop-2-enoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-cyano-3-(prop-2-ynylamino)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.