1-ethyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid
TL;DR: 1-ethyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid (CAS 866039-96-5) is a chemical compound with molecular formula C14H15N3O5 and molecular weight 305.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid
Also Known As: 1-ethyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid, 3-ethyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid, 1-ethyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid, 5W-0276, 1-ethyl-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydropyrimidine-5-carboxylic Acid
| Molecular Formula | C14H15N3O5 |
|---|---|
| Molecular Weight | 305.10 g/mol |
| LogP | 2.0396 |
| Topological Polar Surface Area | 112.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.10117 |
| Heavy Atoms | 22 |
| Complexity | 682.8108 |
Chemical Identifiers
| CAS Number | 866039-96-5 |
|---|---|
| SMILES | CCN1C(=C(C(NC1=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C |
Product Overview
1-ethyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid (CAS 866039-96-5), with molecular formula C14H15N3O5 and molecular weight 305.10 g/mol. IUPAC: 3-ethyl-4-methyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid.
Chemical Property Profile of 1-ethyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid
Property Insights of 1-ethyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid
The XLogP value of 2.0396 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid. The TPSA of 112.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-ethyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid. Following Lipinski's Rule of Five, 1-ethyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid has 2 hydrogen bond donor(s) and 4 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 1-ethyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid?
The CAS number of 1-ethyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid is 866039-96-5.
What is the molecular formula of 1-ethyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid?
The molecular formula of 1-ethyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid is C14H15N3O5.
What is the molecular weight of 1-ethyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid?
The molecular weight of 1-ethyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid is 305.10 g/mol.
Where can I buy 1-ethyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid?
You can request a quote for 1-ethyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-ethyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-ethyl-6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.