ethyl 5-amino-4-cyano-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylate
TL;DR: ethyl 5-amino-4-cyano-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylate (CAS 64922-04-9) is a chemical compound with molecular formula C13H10Cl2N4O2 and molecular weight 324.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-amino-4-cyano-1-(2,4-dichlorophenyl)pyrazole-3-carboxylate
Also Known As: ethyl 5-amino-4-cyano-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylate, AA-516/25012190, ethyl 5-amino-4-cyano-1-(2,4-dichlorophenyl)pyrazole-3-carboxylate
| Molecular Formula | C13H10Cl2N4O2 |
|---|---|
| Molecular Weight | 324.02 g/mol |
| LogP | 2.80968 |
| Topological Polar Surface Area | 93.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.01807 |
| Heavy Atoms | 21 |
| Complexity | 749.36005 |
Chemical Identifiers
| CAS Number | 64922-04-9 |
|---|---|
| SMILES | CCOC(=O)C1=NN(C(=C1C#N)N)C2=C(C=C(C=C2)Cl)Cl |
Product Overview
ethyl 5-amino-4-cyano-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylate (CAS 64922-04-9), with molecular formula C13H10Cl2N4O2 and molecular weight 324.02 g/mol. IUPAC: ethyl 5-amino-4-cyano-1-(2,4-dichlorophenyl)pyrazole-3-carboxylate.
Chemical Property Profile of ethyl 5-amino-4-cyano-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylate
Property Insights of ethyl 5-amino-4-cyano-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylate
The XLogP value of 2.80968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-amino-4-cyano-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylate. The TPSA of 93.93 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-amino-4-cyano-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, ethyl 5-amino-4-cyano-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylate 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 5-amino-4-cyano-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylate?
The CAS number of ethyl 5-amino-4-cyano-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylate is 64922-04-9.
What is the molecular formula of ethyl 5-amino-4-cyano-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylate?
The molecular formula of ethyl 5-amino-4-cyano-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylate is C13H10Cl2N4O2.
What is the molecular weight of ethyl 5-amino-4-cyano-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylate?
The molecular weight of ethyl 5-amino-4-cyano-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylate is 324.02 g/mol.
Where can I buy ethyl 5-amino-4-cyano-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylate?
You can request a quote for ethyl 5-amino-4-cyano-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-amino-4-cyano-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-amino-4-cyano-1-(2,4-dichlorophenyl)-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.