TL;DR: Spiro[3H-1,2'-oxirane]-2,5(1H,4H)-dione, 4-methyl-3'-phenyl-, cis-(-)- (CAS 19553-26-5) is a chemical compound with molecular formula C17H14N2O3 and molecular weight 294.10043 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3'R)-4-methyl-3'-phenylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
Also Known As: Cyclopenin, Cyclopenine, (-)-Cyclopenine, (-)-Cyclopenin, NCI60_004628
| Molecular Formula | C17H14N2O3 |
| Molecular Weight | 294.10043 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 61.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 294.10043 Da |
| Heavy Atoms | 22 |
| Complexity | 488.0 |
| SMILES | CN1C(=O)C2=CC=CC=C2NC(=O)C13[C@H](O3)C4=CC=CC=C4 |
| InChIKey | APLKWZASYUZSBL-XPCCGILXSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro[3H-1,2'-oxirane]-2,5(1H,4H)-dione, 4-methyl-3'-phenyl-, cis-(-)-. The TPSA of 61.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Spiro[3H-1,2'-oxirane]-2,5(1H,4H)-dione, 4-methyl-3'-phenyl-, cis-(-)-. Following Lipinski's Rule of Five, Spiro[3H-1,2'-oxirane]-2,5(1H,4H)-dione, 4-methyl-3'-phenyl-, cis-(-)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Spiro[3H-1,2'-oxirane]-2,5(1H,4H)-dione, 4-methyl-3'-phenyl-, cis-(-)- is 19553-26-5.
The molecular formula of Spiro[3H-1,2'-oxirane]-2,5(1H,4H)-dione, 4-methyl-3'-phenyl-, cis-(-)- is C17H14N2O3.
The molecular weight of Spiro[3H-1,2'-oxirane]-2,5(1H,4H)-dione, 4-methyl-3'-phenyl-, cis-(-)- is 294.10043 g/mol.
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