TL;DR: (2-Fluorophenyl)(4-tosyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone (CAS 896378-51-1) is a chemical compound with molecular formula C21H23FN2O4S and molecular weight 418.13626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-fluorophenyl)-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone
Also Known As: F2663-0016, 8-(2-fluorobenzoyl)-4-(4-methylbenzenesulfonyl)-1-oxa-4,8-diazaspiro[4.5]decane, (2-fluorophenyl)(4-tosyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone, (2-fluorophenyl)-[1-(4-methylphenyl)sulfonyl-4-oxa-1,8-diazaspiro[4.5]decan-8-yl]methanone, (2-fluorophenyl)-[4-(4-methylphenyl)sulfonyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl]methanone
| Molecular Formula | C21H23FN2O4S |
| Molecular Weight | 418.13626 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 75.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.13626 Da |
| Heavy Atoms | 29 |
| Complexity | 694.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCOC23CCN(CC3)C(=O)C4=CC=CC=C4F |
| InChIKey | GMKKNHXRTQWFTK-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Fluorophenyl)(4-tosyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Fluorophenyl)(4-tosyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone. Following Lipinski's Rule of Five, (2-Fluorophenyl)(4-tosyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2-Fluorophenyl)(4-tosyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone is 896378-51-1.
The molecular formula of (2-Fluorophenyl)(4-tosyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone is C21H23FN2O4S.
The molecular weight of (2-Fluorophenyl)(4-tosyl-1-oxa-4,8-diazaspiro[4.5]decan-8-yl)methanone is 418.13626 g/mol.
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