ethyl 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate
TL;DR: ethyl 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate (CAS 959291-07-7) is a chemical compound with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate
Also Known As: ethyl 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate, Ethyl 6-isobutyl-2-oxo-2,3-dihydropyrimidine-4-carboxylate, Ethyl6-isobutyl-2-oxo-2,3-dihydropyrimidine-4-carboxylate, 2-Hydroxy-6-isobutyl-pyrimidine-4-carboxylic acid, ethyl ester, Pyrimidine-4-carboxylic acid, 6-isobutyl-2-oxo-1,2-dihydro-, ethyl ester
| Molecular Formula | C11H16N2O3 |
|---|---|
| Molecular Weight | 224.12 g/mol |
| LogP | 1.1451 |
| Topological Polar Surface Area | 72.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.11609 |
| Heavy Atoms | 16 |
| Complexity | 423.483 |
Chemical Identifiers
| CAS Number | 959291-07-7 |
|---|---|
| SMILES | CCOC(=O)C1=NC(=O)NC(=C1)CC(C)C |
Product Overview
ethyl 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate (CAS 959291-07-7), with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol. IUPAC: ethyl 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate.
Chemical Property Profile of ethyl 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate
Property Insights of ethyl 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate
The XLogP value of 1.1451 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate. The TPSA of 72.05 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate. Following Lipinski's Rule of Five, ethyl 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate has 1 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 ethyl 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate?
The CAS number of ethyl 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate is 959291-07-7.
What is the molecular formula of ethyl 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate?
The molecular formula of ethyl 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate is C11H16N2O3.
What is the molecular weight of ethyl 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate?
The molecular weight of ethyl 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate is 224.12 g/mol.
Where can I buy ethyl 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate?
You can request a quote for ethyl 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-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-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.