![ethyl N-[(2Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]glycinate structure](/static/products/360/360062-24-4.png)
ethyl N-[(2Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]glycinate
TL;DR: ethyl N-[(2Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]glycinate (CAS 360062-24-4) is a chemical compound with molecular formula C9H13N3O3 and molecular weight 211.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[(Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate
Also Known As: ethyl N-[(2Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]glycinate, (Z)-ethyl 2-((4-amino-3-cyano-4-oxobut-2-en-2-yl)amino)acetate, ethyl 2-[[(Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate
| Molecular Formula | C9H13N3O3 |
|---|---|
| Molecular Weight | 211.10 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 211.09569 |
| Heavy Atoms | 15 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 360062-24-4 |
|---|---|
| SMILES | CCOC(=O)CN/C(=C(/C#N)\C(=O)N)/C |
| InChIKey | LYWHTKUULPJNEQ-SREVYHEPSA-N |
Product Overview
ethyl N-[(2Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]glycinate (CAS 360062-24-4), with molecular formula C9H13N3O3 and molecular weight 211.10 g/mol. IUPAC: ethyl 2-[[(Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]amino]acetate.
Chemical Property Profile of ethyl N-[(2Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]glycinate
Property Insights of ethyl N-[(2Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]glycinate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-[(2Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]glycinate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-[(2Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]glycinate. Following Lipinski's Rule of Five, ethyl N-[(2Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]glycinate has 2 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 N-[(2Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]glycinate?
The CAS number of ethyl N-[(2Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]glycinate is 360062-24-4.
What is the molecular formula of ethyl N-[(2Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]glycinate?
The molecular formula of ethyl N-[(2Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]glycinate is C9H13N3O3.
What is the molecular weight of ethyl N-[(2Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]glycinate?
The molecular weight of ethyl N-[(2Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]glycinate is 211.10 g/mol.
Where can I buy ethyl N-[(2Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]glycinate?
You can request a quote for ethyl N-[(2Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]glycinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-[(2Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]glycinate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-[(2Z)-4-amino-3-cyano-4-oxobut-2-en-2-yl]glycinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.