TL;DR: 3,4-Dihydro-2,2-dimethyl-4-(phenylimino)-2H-furo(3,4-b)pyran-7(5H)-one N-oxide (CAS 117611-96-8) is a chemical compound with molecular formula C15H15NO4 and molecular weight 273.1001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-hydroxyphenyl)imino-2,2-dimethyl-3,5-dihydrofuro[3,4-b]pyran-7-one
Also Known As: 3,4-Dihydro-2,2-dimethyl-4-(phenylimino)-2H-furo(3,4-b)pyran-7(5H)-one N-oxide, 2H-Furo(3,4-b)pyran-7(5H)-one, 3,4-dihydro-2,2-dimethyl-4-(phenylimino)-, N-oxide, 4-(2-hydroxyphenyl)imino-2,2-dimethyl-3,5-dihydrofuro[3,4-b]pyran-7-one
| Molecular Formula | C15H15NO4 |
| Molecular Weight | 273.1001 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 68.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.1001 Da |
| Heavy Atoms | 20 |
| Complexity | 492.0 |
| SMILES | CC1(CC(=NC2=CC=CC=C2O)C3=C(O1)C(=O)OC3)C |
| InChIKey | QTNSLNKNHVDVQR-UHFFFAOYSA-N |
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-2,2-dimethyl-4-(phenylimino)-2H-furo(3,4-b)pyran-7(5H)-one N-oxide. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydro-2,2-dimethyl-4-(phenylimino)-2H-furo(3,4-b)pyran-7(5H)-one N-oxide. Following Lipinski's Rule of Five, 3,4-Dihydro-2,2-dimethyl-4-(phenylimino)-2H-furo(3,4-b)pyran-7(5H)-one N-oxide has 1 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 3,4-Dihydro-2,2-dimethyl-4-(phenylimino)-2H-furo(3,4-b)pyran-7(5H)-one N-oxide is 117611-96-8.
The molecular formula of 3,4-Dihydro-2,2-dimethyl-4-(phenylimino)-2H-furo(3,4-b)pyran-7(5H)-one N-oxide is C15H15NO4.
The molecular weight of 3,4-Dihydro-2,2-dimethyl-4-(phenylimino)-2H-furo(3,4-b)pyran-7(5H)-one N-oxide is 273.1001 g/mol.
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