methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
TL;DR: methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 690648-93-2) is a chemical compound with molecular formula C15H17N3O7 and molecular weight 351.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
| Molecular Formula | C15H17N3O7 |
|---|---|
| Molecular Weight | 351.11 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 140.03 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.10666 |
| Heavy Atoms | 25 |
| Complexity | 772.63367 |
Chemical Identifiers
| CAS Number | 690648-93-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1[N+](=O)[O-])C2C(=C(NC(=O)N2)C)C(=O)OC)O |
Product Overview
methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 690648-93-2), with molecular formula C15H17N3O7 and molecular weight 351.11 g/mol. IUPAC: methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Property Insights of methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. The TPSA of 140.03 Ų indicates high polarity, suggesting methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate 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 methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The CAS number of methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 690648-93-2.
What is the molecular formula of methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular formula of methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is C15H17N3O7.
What is the molecular weight of methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular weight of methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 351.11 g/mol.
Where can I buy methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
You can request a quote for methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(3-ethoxy-4-hydroxy-2-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.