TL;DR: (S)-ethyl 2'-amino-5'-benzoyl-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3'-carboxylate (CAS 1212207-36-7) is a chemical compound with molecular formula C23H20N2O5 and molecular weight 404.1372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (3S)-2'-amino-5'-benzoyl-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
Also Known As: (S)-ethyl 2'-amino-5'-benzoyl-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3'-carboxylate, ethyl (3S)-2'-amino-5'-benzoyl-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
| Molecular Formula | C23H20N2O5 |
| Molecular Weight | 404.1372 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.1372 Da |
| Heavy Atoms | 30 |
| Complexity | 823.0 |
| SMILES | CCOC(=O)C1=C(OC(=C([C@@]12C3=CC=CC=C3NC2=O)C(=O)C4=CC=CC=C4)C)N |
| InChIKey | OSVQCMASKVAJCN-QHCPKHFHSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-ethyl 2'-amino-5'-benzoyl-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3'-carboxylate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-ethyl 2'-amino-5'-benzoyl-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3'-carboxylate. Following Lipinski's Rule of Five, (S)-ethyl 2'-amino-5'-benzoyl-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3'-carboxylate 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 (S)-ethyl 2'-amino-5'-benzoyl-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3'-carboxylate is 1212207-36-7.
The molecular formula of (S)-ethyl 2'-amino-5'-benzoyl-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3'-carboxylate is C23H20N2O5.
The molecular weight of (S)-ethyl 2'-amino-5'-benzoyl-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3'-carboxylate is 404.1372 g/mol.
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