TL;DR: methyl 5-[(4-oxoquinazolin-3(4H)-yl)methyl]furan-2-carboxylate (CAS 876525-25-6) is a chemical compound with molecular formula C15H12N2O4 and molecular weight 284.0797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylate
Also Known As: EiM17-02326, methyl 5-[(4-oxoquinazolin-3(4H)-yl)methyl]furan-2-carboxylate, methyl 5-[(4-oxoquinazolin-3-yl)methyl]furan-2-carboxylate, methyl 5-((4-oxoquinazolin-3(4H)-yl)methyl)furan-2-carboxylate, METHYL 5-{[4-OXO-3(4H)-QUINAZOLINYL]METHYL}-2-FUROATE
| Molecular Formula | C15H12N2O4 |
| Molecular Weight | 284.0797 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.0797 Da |
| Heavy Atoms | 21 |
| Complexity | 451.0 |
| SMILES | COC(=O)C1=CC=C(O1)CN2C=NC3=CC=CC=C3C2=O |
| InChIKey | VKJVFIXRDQAGNQ-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 5-[(4-oxoquinazolin-3(4H)-yl)methyl]furan-2-carboxylate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-[(4-oxoquinazolin-3(4H)-yl)methyl]furan-2-carboxylate. Following Lipinski's Rule of Five, methyl 5-[(4-oxoquinazolin-3(4H)-yl)methyl]furan-2-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of methyl 5-[(4-oxoquinazolin-3(4H)-yl)methyl]furan-2-carboxylate is 876525-25-6.
The molecular formula of methyl 5-[(4-oxoquinazolin-3(4H)-yl)methyl]furan-2-carboxylate is C15H12N2O4.
The molecular weight of methyl 5-[(4-oxoquinazolin-3(4H)-yl)methyl]furan-2-carboxylate is 284.0797 g/mol.
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