Ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate
TL;DR: Ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate (CAS 93475-86-6) is a chemical compound with molecular formula C13H17N3O7 and molecular weight 327.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate
Also Known As: ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate, 2,4-Diethoxy-5-nitro-6-ethoxalylmethyl-pyrimidin, 4-Pyrimidinepropanoicacid, 2,6-diethoxy-5-nitro-a-oxo-, ethyl ester
| Molecular Formula | C13H17N3O7 |
|---|---|
| Molecular Weight | 327.11 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 327.10666 |
| Heavy Atoms | 23 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 93475-86-6 |
|---|---|
| SMILES | CCOC1=NC(=NC(=C1[N+](=O)[O-])CC(=O)C(=O)OCC)OCC |
| InChIKey | FZHPUHZBNFUQMM-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate (CAS 93475-86-6), with molecular formula C13H17N3O7 and molecular weight 327.11 g/mol. IUPAC: ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate.
Chemical Property Profile of Ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate
Property Insights of Ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate. Following Lipinski's Rule of Five, Ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate has 0 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 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate?
The CAS number of Ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate is 93475-86-6.
What is the molecular formula of Ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate?
The molecular formula of Ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate is C13H17N3O7.
What is the molecular weight of Ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate?
The molecular weight of Ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate is 327.11 g/mol.
Where can I buy Ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate?
You can request a quote for Ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(2,6-diethoxy-5-nitropyrimidin-4-yl)-2-oxopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.