ethyl 6-(bromomethyl)-2-oxo-4-thien-2-yl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
TL;DR: ethyl 6-(bromomethyl)-2-oxo-4-thien-2-yl-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 15139-62-5) is a chemical compound with molecular formula C12H13BrN2O3S and molecular weight 343.98303 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 6-(bromomethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: ethyl 6-(bromomethyl)-2-oxo-4-thien-2-yl-1,2,3,4-tetrahydropyrimidine-5-carboxylate, Ethyl 6-(bromomethyl)-2-oxo-4-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 6-(bromomethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate, ethyl 6-(bromomethyl)-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-p, 2-Oxo-5-ethoxycarbonyl-6-brommethyl-4-
Technical Specifications
| Molecular Formula | C12H13BrN2O3S |
| Molecular Weight | 343.98303 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 95.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.98303 Da |
| Heavy Atoms | 19 |
| Complexity | 414.0 |
| SMILES | CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CBr |
| InChIKey | IKBCZZXKROFYMW-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 6-(bromomethyl)-2-oxo-4-thien-2-yl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Property Insights of ethyl 6-(bromomethyl)-2-oxo-4-thien-2-yl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 6-(bromomethyl)-2-oxo-4-thien-2-yl-1,2,3,4-tetrahydropyrimidine-5-carboxylate. The TPSA of 95.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 6-(bromomethyl)-2-oxo-4-thien-2-yl-1,2,3,4-tetrahydropyrimidine-5-carboxylate. Following Lipinski's Rule of Five, ethyl 6-(bromomethyl)-2-oxo-4-thien-2-yl-1,2,3,4-tetrahydropyrimidine-5-carboxylate 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
What is the CAS number of ethyl 6-(bromomethyl)-2-oxo-4-thien-2-yl-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The CAS number of ethyl 6-(bromomethyl)-2-oxo-4-thien-2-yl-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 15139-62-5.
What is the molecular formula of ethyl 6-(bromomethyl)-2-oxo-4-thien-2-yl-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular formula of ethyl 6-(bromomethyl)-2-oxo-4-thien-2-yl-1,2,3,4-tetrahydropyrimidine-5-carboxylate is C12H13BrN2O3S.
What is the molecular weight of ethyl 6-(bromomethyl)-2-oxo-4-thien-2-yl-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
The molecular weight of ethyl 6-(bromomethyl)-2-oxo-4-thien-2-yl-1,2,3,4-tetrahydropyrimidine-5-carboxylate is 343.98303 g/mol.
Where can I buy ethyl 6-(bromomethyl)-2-oxo-4-thien-2-yl-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
You can request a quote for ethyl 6-(bromomethyl)-2-oxo-4-thien-2-yl-1,2,3,4-tetrahydropyrimidine-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 6-(bromomethyl)-2-oxo-4-thien-2-yl-1,2,3,4-tetrahydropyrimidine-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 6-(bromomethyl)-2-oxo-4-thien-2-yl-1,2,3,4-tetrahydropyrimidine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.