TL;DR: (3S)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile (CAS 1212152-19-6) is a chemical compound with molecular formula C17H11N3O4 and molecular weight 321.07495 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
Also Known As: (3S)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile, (S)-2'-amino-7'-methyl-2,5'-dioxo-5'H-spiro[indoline-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile
| Molecular Formula | C17H11N3O4 |
| Molecular Weight | 321.07495 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 321.07495 Da |
| Heavy Atoms | 24 |
| Complexity | 813.0 |
| SMILES | CC1=CC2=C(C(=O)O1)[C@]3(C4=CC=CC=C4NC3=O)C(=C(O2)N)C#N |
| InChIKey | PRJYKASGDBMYNQ-KRWDZBQOSA-N |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile. Following Lipinski's Rule of Five, (3S)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile has 2 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 (3S)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile is 1212152-19-6.
The molecular formula of (3S)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile is C17H11N3O4.
The molecular weight of (3S)-2'-amino-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[4,3-b]pyran]-3'-carbonitrile is 321.07495 g/mol.
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