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 233.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C11H11N3O3 |
|---|---|
| Molecular Weight | 233.08 g/mol |
| LogP | 0.26668 |
| Topological Polar Surface Area | 92.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.08005 |
| Heavy Atoms | 17 |
| Complexity | 439.02493 |
Chemical Identifiers
| CAS Number | 1031257-03-0 |
|---|---|
| SMILES | CCOC(=O)C(C#N)NC(=O)C1=CC=NC=C1 |
Product Overview
Ethyl 2-cyano-2-(pyridine-4-carbonylamino)acetate (CAS 1031257-03-0), with molecular formula C11H11N3O3 and molecular weight 233.08 g/mol. IUPAC: ethyl 2-cyano-2-(pyridine-4-carbonylamino)acetate.
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 0.26668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-2-(pyridine-4-carbonylamino)acetate. The TPSA of 92.08 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
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 233.08 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-2-(pyridine-4-carbonylamino)acetate?
Yes, KEHONG BIO 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.