![ethyl 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate structure](/static/products/5415/54153-53-6.webp)
ethyl 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate
TL;DR: ethyl 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate (CAS 54153-53-6) is a chemical compound with molecular formula C11H13N3O3 and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate
Also Known As: ethyl 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate, ethyl [(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino](oxo)acetate, ACETIC ACID,2-[(3-CYANO-4,5-DIMETHYL-1H-PYRROL-2-YL)AMINO]-2-OXO-, ETHYL ESTER
| Molecular Formula | C11H13N3O3 |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 95.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.09569 |
| Heavy Atoms | 17 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 54153-53-6 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=C(C(=C(N1)C)C)C#N |
| InChIKey | YKAHGYBTHQMWSV-UHFFFAOYSA-N |
Product Overview
ethyl 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate (CAS 54153-53-6), with molecular formula C11H13N3O3 and molecular weight 235.10 g/mol. IUPAC: ethyl 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate.
Chemical Property Profile of ethyl 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate
Property Insights of ethyl 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate. The TPSA of 95.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate. Following Lipinski's Rule of Five, ethyl 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate has 2 hydrogen bond donor(s) and 4 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-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate?
The CAS number of ethyl 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate is 54153-53-6.
What is the molecular formula of ethyl 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate?
The molecular formula of ethyl 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate is C11H13N3O3.
What is the molecular weight of ethyl 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate?
The molecular weight of ethyl 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate is 235.10 g/mol.
Where can I buy ethyl 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate?
You can request a quote for ethyl 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-[(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)amino]-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.