![Ethyl 4-{[6-methyl-2-(morpholin-4-yl)-5-nitropyrimidin-4-yl]amino}benzoate structure](/static/products/487/487015-90-7.png)
Ethyl 4-{[6-methyl-2-(morpholin-4-yl)-5-nitropyrimidin-4-yl]amino}benzoate
TL;DR: Ethyl 4-{[6-methyl-2-(morpholin-4-yl)-5-nitropyrimidin-4-yl]amino}benzoate (CAS 487015-90-7) is a chemical compound with molecular formula C18H21N5O5 and molecular weight 387.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-yl)amino]benzoate
Also Known As: ethyl 4-((6-methyl-2-morpholino-5-nitropyrimidin-4-yl)amino)benzoate, ethyl 4-[(6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-yl)amino]benzoate, ethyl 4-{[6-methyl-2-(morpholin-4-yl)-5-nitropyrimidin-4-yl]amino}benzoate
| Molecular Formula | C18H21N5O5 |
|---|---|
| Molecular Weight | 387.15 g/mol |
| LogP | 2.45012 |
| Topological Polar Surface Area | 119.72 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.15427 |
| Heavy Atoms | 28 |
| Complexity | 865.4152 |
Chemical Identifiers
| CAS Number | 487015-90-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC2=NC(=NC(=C2[N+](=O)[O-])C)N3CCOCC3 |
Product Overview
Ethyl 4-{[6-methyl-2-(morpholin-4-yl)-5-nitropyrimidin-4-yl]amino}benzoate (CAS 487015-90-7), with molecular formula C18H21N5O5 and molecular weight 387.15 g/mol. IUPAC: ethyl 4-[(6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-yl)amino]benzoate.
Chemical Property Profile of Ethyl 4-{[6-methyl-2-(morpholin-4-yl)-5-nitropyrimidin-4-yl]amino}benzoate
Property Insights of Ethyl 4-{[6-methyl-2-(morpholin-4-yl)-5-nitropyrimidin-4-yl]amino}benzoate
The XLogP value of 2.45012 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{[6-methyl-2-(morpholin-4-yl)-5-nitropyrimidin-4-yl]amino}benzoate. The TPSA of 119.72 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{[6-methyl-2-(morpholin-4-yl)-5-nitropyrimidin-4-yl]amino}benzoate. Following Lipinski's Rule of Five, Ethyl 4-{[6-methyl-2-(morpholin-4-yl)-5-nitropyrimidin-4-yl]amino}benzoate has 1 hydrogen bond donor(s) and 9 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-(morpholin-4-yl)-5-nitropyrimidin-4-yl]amino}benzoate?
The CAS number of Ethyl 4-{[6-methyl-2-(morpholin-4-yl)-5-nitropyrimidin-4-yl]amino}benzoate is 487015-90-7.
What is the molecular formula of Ethyl 4-{[6-methyl-2-(morpholin-4-yl)-5-nitropyrimidin-4-yl]amino}benzoate?
The molecular formula of Ethyl 4-{[6-methyl-2-(morpholin-4-yl)-5-nitropyrimidin-4-yl]amino}benzoate is C18H21N5O5.
What is the molecular weight of Ethyl 4-{[6-methyl-2-(morpholin-4-yl)-5-nitropyrimidin-4-yl]amino}benzoate?
The molecular weight of Ethyl 4-{[6-methyl-2-(morpholin-4-yl)-5-nitropyrimidin-4-yl]amino}benzoate is 387.15 g/mol.
Where can I buy Ethyl 4-{[6-methyl-2-(morpholin-4-yl)-5-nitropyrimidin-4-yl]amino}benzoate?
You can request a quote for Ethyl 4-{[6-methyl-2-(morpholin-4-yl)-5-nitropyrimidin-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-(morpholin-4-yl)-5-nitropyrimidin-4-yl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{[6-methyl-2-(morpholin-4-yl)-5-nitropyrimidin-4-yl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.