3,4-Dihydro-4-(1,4-dihydro-4-oxo-5-pyrimidinyl)-2H-1-benzopyran-2-carboylic acid
TL;DR: 3,4-Dihydro-4-(1,4-dihydro-4-oxo-5-pyrimidinyl)-2H-1-benzopyran-2-carboylic acid (CAS 153004-50-3) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.0797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(6-oxo-1H-pyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid
Also Known As: 3,4-Dihydro-4-(1,4-dihydro-4-oxo-5-pyrimidinyl)-2H-1-benzopyran-2-carboylic acid, 2H-1-Benzopyran-2-carboylic acid, 3,4-dihydro-4-(1,4-dihydro-4-oxo-5-pyrimidinyl)-, 4-(6-oxo-1H-pyrimidin-5-yl)-3,4-dihydro-2H-chromene-2-carboxylic acid, 2H-1-Benzopyran-2-carboxylicacid, 4-(1,6-dihydro-6-oxo-5-pyrimidinyl)-3,4-dihydro-, 4-(4-Hydroxypyrimidin-5-yl)-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid
Technical Specifications
| Molecular Formula | C14H12N2O4 |
| Molecular Weight | 272.0797 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.0797 Da |
| Heavy Atoms | 20 |
| Complexity | 486.0 |
| SMILES | C1C(C2=CC=CC=C2OC1C(=O)O)C3=CN=CNC3=O |
| InChIKey | IXRJZXKZTLDKTA-UHFFFAOYSA-N |
Chemical Property Profile of 3,4-Dihydro-4-(1,4-dihydro-4-oxo-5-pyrimidinyl)-2H-1-benzopyran-2-carboylic acid
Property Insights of 3,4-Dihydro-4-(1,4-dihydro-4-oxo-5-pyrimidinyl)-2H-1-benzopyran-2-carboylic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-4-(1,4-dihydro-4-oxo-5-pyrimidinyl)-2H-1-benzopyran-2-carboylic acid. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydro-4-(1,4-dihydro-4-oxo-5-pyrimidinyl)-2H-1-benzopyran-2-carboylic acid. Following Lipinski's Rule of Five, 3,4-Dihydro-4-(1,4-dihydro-4-oxo-5-pyrimidinyl)-2H-1-benzopyran-2-carboylic acid has 2 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 3,4-Dihydro-4-(1,4-dihydro-4-oxo-5-pyrimidinyl)-2H-1-benzopyran-2-carboylic acid?
The CAS number of 3,4-Dihydro-4-(1,4-dihydro-4-oxo-5-pyrimidinyl)-2H-1-benzopyran-2-carboylic acid is 153004-50-3.
What is the molecular formula of 3,4-Dihydro-4-(1,4-dihydro-4-oxo-5-pyrimidinyl)-2H-1-benzopyran-2-carboylic acid?
The molecular formula of 3,4-Dihydro-4-(1,4-dihydro-4-oxo-5-pyrimidinyl)-2H-1-benzopyran-2-carboylic acid is C14H12N2O4.
What is the molecular weight of 3,4-Dihydro-4-(1,4-dihydro-4-oxo-5-pyrimidinyl)-2H-1-benzopyran-2-carboylic acid?
The molecular weight of 3,4-Dihydro-4-(1,4-dihydro-4-oxo-5-pyrimidinyl)-2H-1-benzopyran-2-carboylic acid is 272.0797 g/mol.
Where can I buy 3,4-Dihydro-4-(1,4-dihydro-4-oxo-5-pyrimidinyl)-2H-1-benzopyran-2-carboylic acid?
You can request a quote for 3,4-Dihydro-4-(1,4-dihydro-4-oxo-5-pyrimidinyl)-2H-1-benzopyran-2-carboylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Dihydro-4-(1,4-dihydro-4-oxo-5-pyrimidinyl)-2H-1-benzopyran-2-carboylic acid?
Yes, CoreyChem provides custom synthesis services for 3,4-Dihydro-4-(1,4-dihydro-4-oxo-5-pyrimidinyl)-2H-1-benzopyran-2-carboylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.