![Ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate structure](/static/products/100/1001829-93-1.png)
Ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate
TL;DR: Ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate (CAS 1001829-93-1) is a chemical compound with molecular formula C17H16N6O4 and molecular weight 368.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate
Also Known As: VU0499878-1, F2803-0110, ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate, ethyl 4-((6-methyl-2-(4-nitro-1H-pyrazol-1-yl)pyrimidin-4-yl)amino)benzoate, ethyl 4-{[6-methyl-2-(4-nitro-1H-pyrazol-1-yl)pyrimidin-4-yl]amino}benzoate
| Molecular Formula | C17H16N6O4 |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | 2.79922 |
| Topological Polar Surface Area | 125.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.1233 |
| Heavy Atoms | 27 |
| Complexity | 983.3436 |
Chemical Identifiers
| CAS Number | 1001829-93-1 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2)C)N3C=C(C=N3)[N+](=O)[O-] |
Product Overview
Ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate (CAS 1001829-93-1), with molecular formula C17H16N6O4 and molecular weight 368.12 g/mol. IUPAC: ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate
Property Insights of Ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate
The XLogP value of 2.79922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate. The TPSA of 125.07 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate has 1 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 Ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate?
The CAS number of Ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate is 1001829-93-1.
What is the molecular formula of Ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate?
The molecular formula of Ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate is C17H16N6O4.
What is the molecular weight of Ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate?
The molecular weight of Ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate is 368.12 g/mol.
Where can I buy Ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate?
You can request a quote for Ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]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-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[[6-methyl-2-(4-nitropyrazol-1-yl)pyrimidin-4-yl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.