Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate
TL;DR: Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate (CAS 52632-17-4) 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-[(2-cyano-3-ethoxy-3-oxoprop-1-enyl)amino]-1H-pyrazole-4-carboxylate
Also Known As: Allopurinol Impurity F, ethyl 5-[(2-cyano-3-ethoxy-3-oxoprop-1-enyl)amino]-1H-pyrazole-4-carboxylate, (E/Z)-3-[(2-Cyano-3-ethoxy-3-oxo-1-propenyl)amino]-1H-Pyrazole-4-carboxylic Acid Ethyl Ester, Allopurinol Impurity 7(Allopurinol Impurity F), ALLOPURINOL RELATED COMPOUND F (USP-RS)
| Molecular Formula | C12H14N4O4 |
|---|---|
| Molecular Weight | 278.10 g/mol |
| LogP | 0.96888 |
| Topological Polar Surface Area | 117.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 278.1015 |
| Heavy Atoms | 20 |
| Complexity | 556.0487 |
Chemical Identifiers
| CAS Number | 52632-17-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(NN=C1)NC=C(C#N)C(=O)OCC |
Product Overview
Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate (CAS 52632-17-4), with molecular formula C12H14N4O4 and molecular weight 278.10 g/mol. IUPAC: ethyl 5-[(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
Property Insights of Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate
The XLogP value of 0.96888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate. The TPSA of 117.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate 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?
The CAS number of Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate is 52632-17-4.
What is the molecular formula of Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate?
The molecular formula of Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate is C12H14N4O4.
What is the molecular weight of Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate?
The molecular weight of Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate is 278.10 g/mol.
Where can I buy Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate?
You can request a quote for Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate 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?
Yes, KEHONG BIO provides custom synthesis services for Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.