TL;DR: (S)-3'-ethyl 5'-isopropyl 2'-amino-1,6'-dimethyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate (CAS 1212063-64-3) is a chemical compound with molecular formula C21H24N2O6 and molecular weight 400.16342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-O'-ethyl 5-O'-propan-2-yl (3S)-2'-amino-1,6'-dimethyl-2-oxospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
Also Known As: (S)-3'-ethyl 5'-isopropyl 2'-amino-1,6'-dimethyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate, 3-O'-ethyl 5-O'-propan-2-yl (3S)-2'-amino-1,6'-dimethyl-2-oxospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
| Molecular Formula | C21H24N2O6 |
| Molecular Weight | 400.16342 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.16342 Da |
| Heavy Atoms | 29 |
| Complexity | 799.0 |
| SMILES | CCOC(=O)C1=C(OC(=C([C@@]12C3=CC=CC=C3N(C2=O)C)C(=O)OC(C)C)C)N |
| InChIKey | ACUANCWEFNTTNI-NRFANRHFSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3'-ethyl 5'-isopropyl 2'-amino-1,6'-dimethyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3'-ethyl 5'-isopropyl 2'-amino-1,6'-dimethyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate. Following Lipinski's Rule of Five, (S)-3'-ethyl 5'-isopropyl 2'-amino-1,6'-dimethyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-3'-ethyl 5'-isopropyl 2'-amino-1,6'-dimethyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is 1212063-64-3.
The molecular formula of (S)-3'-ethyl 5'-isopropyl 2'-amino-1,6'-dimethyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is C21H24N2O6.
The molecular weight of (S)-3'-ethyl 5'-isopropyl 2'-amino-1,6'-dimethyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is 400.16342 g/mol.
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