ethyl 6-(2-ethoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
TL;DR: ethyl 6-(2-ethoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CAS 445253-37-2) is a chemical compound with molecular formula C17H21N3O6 and molecular weight 363.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(2-ethoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: ethyl 6-(2-ethoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate, ethyl 4-{2-ethoxy-5-nitrophenyl}-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, ETHYL 4-(2-ETHOXY-5-NITROPHENYL)-1,6-DIMETHYL-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE, ethyl 4-(2-ethoxy-5-nitrophenyl)-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C17H21N3O6 |
|---|---|
| Molecular Weight | 363.14 g/mol |
| LogP | 2.5267 |
| Topological Polar Surface Area | 111.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.14304 |
| Heavy Atoms | 26 |
| Complexity | 773.7618 |
Chemical Identifiers
| CAS Number | 445253-37-2 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)[N+](=O)[O-])C2C(=C(N(C(=O)N2)C)C)C(=O)OCC |
Product Overview
ethyl 6-(2-ethoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CAS 445253-37-2), with molecular formula C17H21N3O6 and molecular weight 363.14 g/mol. IUPAC: ethyl 6-(2-ethoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 6-(2-ethoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Property Insights of ethyl 6-(2-ethoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
The XLogP value of 2.5267 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-(2-ethoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate. The TPSA of 111.01 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-(2-ethoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 6-(2-ethoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate 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 6-(2-ethoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The CAS number of ethyl 6-(2-ethoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is 445253-37-2.
What is the molecular formula of ethyl 6-(2-ethoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The molecular formula of ethyl 6-(2-ethoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is C17H21N3O6.
What is the molecular weight of ethyl 6-(2-ethoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The molecular weight of ethyl 6-(2-ethoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is 363.14 g/mol.
Where can I buy ethyl 6-(2-ethoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
You can request a quote for ethyl 6-(2-ethoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 6-(2-ethoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-(2-ethoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.