Ethyl 2-cyano-2-(pyridine-4-carbonylamino)acetate
TL;DR: Ethyl 2-cyano-2-(pyridine-4-carbonylamino)acetate (CAS 1031257-03-0) is a chemical compound with molecular formula C11H11N3O3 and molecular weight 233.08005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-cyano-2-(pyridine-4-carbonylamino)acetate
Also Known As: TOS-BB-0844, ethyl cyano(isonicotinoylamino)acetate, ethyl 2-cyano-2-(isonicotinamido)acetate, ethyl 2-cyano-2-(pyridine-4-carbonylamino)acetate
Technical Specifications
| Molecular Formula | C11H11N3O3 |
| Molecular Weight | 233.08005 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 92.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 233.08005 Da |
| Heavy Atoms | 17 |
| Complexity | 328.0 |
| SMILES | CCOC(=O)C(C#N)NC(=O)C1=CC=NC=C1 |
| InChIKey | UFIHKWJQZDLOAH-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-cyano-2-(pyridine-4-carbonylamino)acetate
Property Insights of Ethyl 2-cyano-2-(pyridine-4-carbonylamino)acetate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-2-(pyridine-4-carbonylamino)acetate. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-2-(pyridine-4-carbonylamino)acetate. Following Lipinski's Rule of Five, Ethyl 2-cyano-2-(pyridine-4-carbonylamino)acetate 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 2-cyano-2-(pyridine-4-carbonylamino)acetate?
The CAS number of Ethyl 2-cyano-2-(pyridine-4-carbonylamino)acetate is 1031257-03-0.
What is the molecular formula of Ethyl 2-cyano-2-(pyridine-4-carbonylamino)acetate?
The molecular formula of Ethyl 2-cyano-2-(pyridine-4-carbonylamino)acetate is C11H11N3O3.
What is the molecular weight of Ethyl 2-cyano-2-(pyridine-4-carbonylamino)acetate?
The molecular weight of Ethyl 2-cyano-2-(pyridine-4-carbonylamino)acetate is 233.08005 g/mol.
Where can I buy Ethyl 2-cyano-2-(pyridine-4-carbonylamino)acetate?
You can request a quote for Ethyl 2-cyano-2-(pyridine-4-carbonylamino)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-cyano-2-(pyridine-4-carbonylamino)acetate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-cyano-2-(pyridine-4-carbonylamino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.