Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate, (E)-
TL;DR: Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate, (E)- (CAS 321571-07-7) is a chemical compound with molecular formula C12H14N4O4 and molecular weight 278.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]-1H-pyrazole-4-carboxylate
Also Known As: Allopurinol Impurity 32, Allopurinol related compound F, (E)-, Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate, (E)-, (E)-3-[(2-Cyano-3-ethoxy-3-oxo-1-propenyl)amino]-1H-pyrazole-4-carboxylic Acid Ethyl Ester, 3J-937
| Molecular Formula | C12H14N4O4 |
|---|---|
| Molecular Weight | 278.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 278.1015 |
| Heavy Atoms | 20 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 321571-07-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NN=C1)N/C=C(\C#N)/C(=O)OCC |
| InChIKey | GMGGKDVJSPDXNB-SOFGYWHQSA-N |
Product Overview
Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate, (E)- (CAS 321571-07-7), with molecular formula C12H14N4O4 and molecular weight 278.10 g/mol. IUPAC: ethyl 5-[[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]amino]-1H-pyrazole-4-carboxylate.
Chemical Property Profile of Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate, (E)-
Property Insights of Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate, (E)-
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate, (E)-. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate, (E)-. Following Lipinski's Rule of Five, Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate, (E)- has 2 hydrogen bond donor(s) and 7 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-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate, (E)-?
The CAS number of Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate, (E)- is 321571-07-7.
What is the molecular formula of Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate, (E)-?
The molecular formula of Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate, (E)- is C12H14N4O4.
What is the molecular weight of Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate, (E)-?
The molecular weight of Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate, (E)- is 278.10 g/mol.
Where can I buy Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate, (E)-?
You can request a quote for Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.