Ethyl 4-(4-hydroxypyrimidin-5-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate
TL;DR: Ethyl 4-(4-hydroxypyrimidin-5-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate (CAS 153004-49-0) is a chemical compound with molecular formula C16H16N2O4 and molecular weight 300.111 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(6-oxo-1H-pyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxylate
Also Known As: Ethyl 4-(1,4-Dihydro-4-oxo-5-pyrimidinyl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate, 2H-1-Benzopyran-2-carboylic acid, 3,4-dihydro-4-(1,4-dihydro-4-oxo-5-pyrimidinyl)-, ethyl ester, Ethyl 4-(4-hydroxypyrimidin-5-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate, ethyl 4-(6-oxo-1H-pyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxylate
Technical Specifications
| Molecular Formula | C16H16N2O4 |
| Molecular Weight | 300.111 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 77.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.111 Da |
| Heavy Atoms | 22 |
| Complexity | 514.0 |
| SMILES | CCOC(=O)C1CC(C2=CC=CC=C2O1)C3=CN=CNC3=O |
| InChIKey | YMOKXGJQHJZOIH-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-(4-hydroxypyrimidin-5-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate
Property Insights of Ethyl 4-(4-hydroxypyrimidin-5-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(4-hydroxypyrimidin-5-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(4-hydroxypyrimidin-5-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(4-hydroxypyrimidin-5-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate has 1 hydrogen bond donor(s) and 5 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 4-(4-hydroxypyrimidin-5-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate?
The CAS number of Ethyl 4-(4-hydroxypyrimidin-5-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate is 153004-49-0.
What is the molecular formula of Ethyl 4-(4-hydroxypyrimidin-5-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate?
The molecular formula of Ethyl 4-(4-hydroxypyrimidin-5-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate is C16H16N2O4.
What is the molecular weight of Ethyl 4-(4-hydroxypyrimidin-5-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate?
The molecular weight of Ethyl 4-(4-hydroxypyrimidin-5-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate is 300.111 g/mol.
Where can I buy Ethyl 4-(4-hydroxypyrimidin-5-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate?
You can request a quote for Ethyl 4-(4-hydroxypyrimidin-5-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-(4-hydroxypyrimidin-5-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-(4-hydroxypyrimidin-5-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.