Ethyl 6-(bromomethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
TL;DR: Ethyl 6-(bromomethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 14903-94-7) is a chemical compound with molecular formula C8H11BrN2O3 and molecular weight 262.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-(bromomethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ethyl 6-(bromomethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 6-(bromomethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate, 5-Pyrimidinecarboxylic acid, 4-(bromomethyl)-1,2,3,6-tetrahydro-2-oxo-, ethyl ester, 2-Oxo-5-ethoxycarbonyl-6-brommethyl-1.2.3.4-tetrahydro-pyrimidin, ethyl6-(bromomethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
| Molecular Formula | C8H11BrN2O3 |
|---|---|
| Molecular Weight | 262.00 g/mol |
| LogP | 0.5113 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.9953 |
| Heavy Atoms | 14 |
| Complexity | 288.31097 |
Chemical Identifiers
| CAS Number | 14903-94-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)NC1)CBr |
Product Overview
Ethyl 6-(bromomethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 14903-94-7), with molecular formula C8H11BrN2O3 and molecular weight 262.00 g/mol. IUPAC: ethyl 6-(bromomethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of Ethyl 6-(bromomethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Property Insights of Ethyl 6-(bromomethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The XLogP value of 0.5113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-(bromomethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. The TPSA of 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-(bromomethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-(bromomethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate has 2 hydrogen bond donor(s) and 3 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-(bromomethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The CAS number of Ethyl 6-(bromomethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 14903-94-7.
What is the molecular formula of Ethyl 6-(bromomethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular formula of Ethyl 6-(bromomethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is C8H11BrN2O3.
What is the molecular weight of Ethyl 6-(bromomethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular weight of Ethyl 6-(bromomethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 262.00 g/mol.
Where can I buy Ethyl 6-(bromomethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
You can request a quote for Ethyl 6-(bromomethyl)-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 Ethyl 6-(bromomethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-(bromomethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.