(4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate
TL;DR: (4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate (CAS 956260-57-4) is a chemical compound with molecular formula C21H16N4O6 and molecular weight 420.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate
Also Known As: (4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate, 4-formyl-2-methoxyphenyl 1-(2-cyanoethyl)-3-(3-nitrophenyl)-1H-pyrazole-4-carboxylate, (4-formyl-2-methoxy-phenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate
| Molecular Formula | C21H16N4O6 |
|---|---|
| Molecular Weight | 420.11 g/mol |
| LogP | 3.41228 |
| Topological Polar Surface Area | 137.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 420.107 |
| Heavy Atoms | 31 |
| Complexity | 1194.8209 |
Chemical Identifiers
| CAS Number | 956260-57-4 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=O)OC(=O)C2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])CCC#N |
Product Overview
(4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate (CAS 956260-57-4), with molecular formula C21H16N4O6 and molecular weight 420.11 g/mol. IUPAC: (4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate.
Chemical Property Profile of (4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate
Property Insights of (4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate
The XLogP value of 3.41228 indicates that (4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.35 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate. Following Lipinski's Rule of Five, (4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate has 0 hydrogen bond donor(s) and 8 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 (4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate?
The CAS number of (4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate is 956260-57-4.
What is the molecular formula of (4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate?
The molecular formula of (4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate is C21H16N4O6.
What is the molecular weight of (4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate?
The molecular weight of (4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate is 420.11 g/mol.
Where can I buy (4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate?
You can request a quote for (4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)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 (4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (4-formyl-2-methoxyphenyl) 1-(2-cyanoethyl)-3-(3-nitrophenyl)pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.