ethyl 4-{3-ethoxy-4-hydroxy-5-nitrophenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
TL;DR: ethyl 4-{3-ethoxy-4-hydroxy-5-nitrophenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS 353472-58-9) is a chemical compound with molecular formula C16H19N3O7 and molecular weight 365.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ethyl 4-{3-ethoxy-4-hydroxy-5-nitrophenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, ethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C16H19N3O7 |
|---|---|
| Molecular Weight | 365.12 g/mol |
| LogP | 1.8901 |
| Topological Polar Surface Area | 140.03 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 365.1223 |
| Heavy Atoms | 26 |
| Complexity | 788.2932 |
Chemical Identifiers
| CAS Number | 353472-58-9 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2C(=C(NC(=O)N2)C)C(=O)OCC |
Product Overview
ethyl 4-{3-ethoxy-4-hydroxy-5-nitrophenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate (CAS 353472-58-9), with molecular formula C16H19N3O7 and molecular weight 365.12 g/mol. IUPAC: ethyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of ethyl 4-{3-ethoxy-4-hydroxy-5-nitrophenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
Property Insights of ethyl 4-{3-ethoxy-4-hydroxy-5-nitrophenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
The XLogP value of 1.8901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-{3-ethoxy-4-hydroxy-5-nitrophenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate. The TPSA of 140.03 Ų indicates high polarity, suggesting ethyl 4-{3-ethoxy-4-hydroxy-5-nitrophenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl 4-{3-ethoxy-4-hydroxy-5-nitrophenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate has 3 hydrogen bond donor(s) and 7 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-ethoxy-4-hydroxy-5-nitrophenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The CAS number of ethyl 4-{3-ethoxy-4-hydroxy-5-nitrophenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is 353472-58-9.
What is the molecular formula of ethyl 4-{3-ethoxy-4-hydroxy-5-nitrophenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The molecular formula of ethyl 4-{3-ethoxy-4-hydroxy-5-nitrophenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is C16H19N3O7.
What is the molecular weight of ethyl 4-{3-ethoxy-4-hydroxy-5-nitrophenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
The molecular weight of ethyl 4-{3-ethoxy-4-hydroxy-5-nitrophenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate is 365.12 g/mol.
Where can I buy ethyl 4-{3-ethoxy-4-hydroxy-5-nitrophenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
You can request a quote for ethyl 4-{3-ethoxy-4-hydroxy-5-nitrophenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate 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-ethoxy-4-hydroxy-5-nitrophenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{3-ethoxy-4-hydroxy-5-nitrophenyl}-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.