TL;DR: (3R,4'S)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)-4'H-spiro[indoline-3,5'-isoxazol]-2-one (CAS 1212245-91-4) is a chemical compound with molecular formula C21H13FN2O4 and molecular weight 376.08594 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3R,4'S)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
Also Known As: (3R,4'S)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)-4'H-spiro[indoline-3,5'-isoxazol]-2-one, (3R,4'S)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)spiro[1H-indole-3,5'-4H-1,2-oxazole]-2-one
| Molecular Formula | C21H13FN2O4 |
| Molecular Weight | 376.08594 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 80.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.08594 Da |
| Heavy Atoms | 28 |
| Complexity | 690.0 |
| SMILES | C1=CC=C2C(=C1)[C@]3([C@H](C(=NO3)C4=CC=C(C=C4)F)C(=O)C5=CC=CO5)C(=O)N2 |
| InChIKey | VTRMLRJKIMMUDQ-UTKZUKDTSA-N |
The XLogP value of 3.4 indicates that (3R,4'S)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)-4'H-spiro[indoline-3,5'-isoxazol]-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (3R,4'S)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)-4'H-spiro[indoline-3,5'-isoxazol]-2-one. Following Lipinski's Rule of Five, (3R,4'S)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)-4'H-spiro[indoline-3,5'-isoxazol]-2-one has 1 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 (3R,4'S)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)-4'H-spiro[indoline-3,5'-isoxazol]-2-one is 1212245-91-4.
The molecular formula of (3R,4'S)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)-4'H-spiro[indoline-3,5'-isoxazol]-2-one is C21H13FN2O4.
The molecular weight of (3R,4'S)-3'-(4-fluorophenyl)-4'-(furan-2-carbonyl)-4'H-spiro[indoline-3,5'-isoxazol]-2-one is 376.08594 g/mol.
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