TL;DR: 3,4-Dihydro-4-((3-chlorophenyl)imino)-2,2-dimethyl-7H-furo(3,4-b)pyran-7(5H)-one N-oxide (CAS 117612-01-8) is a chemical compound with molecular formula C15H14ClNO4 and molecular weight 307.06113 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-chlorophenyl)-2,2-dimethyl-7-oxo-3,5-dihydrofuro[3,4-b]pyran-4-imine oxide
Also Known As: 3,4-Dihydro-4-((3-chlorophenyl)imino)-2,2-dimethyl-7H-furo(3,4-b)pyran-7(5H)-one N-oxide, 7H-Furo(3,4-b)pyran-7(5H)-one, 3,4-dihydro-4-((3-chlorophenyl)imino)-2,2-dimethyl-, N-oxide, N-(3-chlorophenyl)-2,2-dimethyl-7-oxo-3,5-dihydrofuro[3,4-b]pyran-4-imine oxide
| Molecular Formula | C15H14ClNO4 |
| Molecular Weight | 307.06113 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 307.06113 Da |
| Heavy Atoms | 21 |
| Complexity | 538.0 |
| SMILES | CC1(C/C(=[N+](/C2=CC(=CC=C2)Cl)\[O-])/C3=C(O1)C(=O)OC3)C |
| InChIKey | QEXIKJWWQLKBGT-SFQUDFHCSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dihydro-4-((3-chlorophenyl)imino)-2,2-dimethyl-7H-furo(3,4-b)pyran-7(5H)-one N-oxide. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydro-4-((3-chlorophenyl)imino)-2,2-dimethyl-7H-furo(3,4-b)pyran-7(5H)-one N-oxide. Following Lipinski's Rule of Five, 3,4-Dihydro-4-((3-chlorophenyl)imino)-2,2-dimethyl-7H-furo(3,4-b)pyran-7(5H)-one N-oxide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3,4-Dihydro-4-((3-chlorophenyl)imino)-2,2-dimethyl-7H-furo(3,4-b)pyran-7(5H)-one N-oxide is 117612-01-8.
The molecular formula of 3,4-Dihydro-4-((3-chlorophenyl)imino)-2,2-dimethyl-7H-furo(3,4-b)pyran-7(5H)-one N-oxide is C15H14ClNO4.
The molecular weight of 3,4-Dihydro-4-((3-chlorophenyl)imino)-2,2-dimethyl-7H-furo(3,4-b)pyran-7(5H)-one N-oxide is 307.06113 g/mol.
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