![Ethyl 4-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate structure](/static/products/882/882229-58-5.png)
Ethyl 4-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
TL;DR: Ethyl 4-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate (CAS 882229-58-5) is a chemical compound with molecular formula C25H20N4O5 and molecular weight 456.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
Also Known As: F1495-5944, ethyl 4-[3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-amido]benzoate, ethyl 4-(3-(4-nitrophenyl)-1-phenyl-1H-pyrazole-4-carboxamido)benzoate, ethyl 4-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate, Ethyl 4-[[3-(4-nitrophenyl)-1-phenyl-pyrazole-4-carbonyl]amino]benzoate
| Molecular Formula | C25H20N4O5 |
|---|---|
| Molecular Weight | 456.14 g/mol |
| LogP | 4.8765 |
| Topological Polar Surface Area | 116.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.14337 |
| Heavy Atoms | 34 |
| Complexity | 1330.2509 |
Chemical Identifiers
| CAS Number | 882229-58-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
Ethyl 4-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate (CAS 882229-58-5), with molecular formula C25H20N4O5 and molecular weight 456.14 g/mol. IUPAC: ethyl 4-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
Property Insights of Ethyl 4-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
The XLogP value of 4.8765 indicates that Ethyl 4-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate has 1 hydrogen bond donor(s) and 6 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 4-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate?
The CAS number of Ethyl 4-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate is 882229-58-5.
What is the molecular formula of Ethyl 4-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate?
The molecular formula of Ethyl 4-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate is C25H20N4O5.
What is the molecular weight of Ethyl 4-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate?
The molecular weight of Ethyl 4-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate is 456.14 g/mol.
Where can I buy Ethyl 4-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate?
You can request a quote for Ethyl 4-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[3-(4-nitrophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.