TL;DR: (S)-5'-allyl 3'-butyl 2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate (CAS 1212104-40-9) is a chemical compound with molecular formula C22H24N2O6 and molecular weight 412.16342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-O'-butyl 5-O'-prop-2-enyl (3S)-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
Also Known As: (S)-5'-allyl 3'-butyl 2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate, 3-O'-butyl 5-O'-prop-2-enyl (3S)-2'-amino-6'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
| Molecular Formula | C22H24N2O6 |
| Molecular Weight | 412.16342 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 412.16342 Da |
| Heavy Atoms | 30 |
| Complexity | 814.0 |
| SMILES | CCCCOC(=O)C1=C(OC(=C([C@@]12C3=CC=CC=C3NC2=O)C(=O)OCC=C)C)N |
| InChIKey | KBAWBPZLPJRNJD-QFIPXVFZSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-5'-allyl 3'-butyl 2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-5'-allyl 3'-butyl 2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate. Following Lipinski's Rule of Five, (S)-5'-allyl 3'-butyl 2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate has 2 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)-5'-allyl 3'-butyl 2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is 1212104-40-9.
The molecular formula of (S)-5'-allyl 3'-butyl 2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is C22H24N2O6.
The molecular weight of (S)-5'-allyl 3'-butyl 2'-amino-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is 412.16342 g/mol.
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