TL;DR: (S)-methyl 3'-acetyl-6'-amino-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate (CAS 1212192-15-8) is a chemical compound with molecular formula C20H20N2O7 and molecular weight 400.12704 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (3S)-5'-acetyl-2'-amino-1-(2-methoxy-2-oxoethyl)-6'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
Also Known As: (S)-methyl 3'-acetyl-6'-amino-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate, methyl (3S)-5'-acetyl-2'-amino-1-(2-methoxy-2-oxoethyl)-6'-methyl-2-oxospiro[indole-3,4'-pyran]-3'-carboxylate
| Molecular Formula | C20H20N2O7 |
| Molecular Weight | 400.12704 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.12704 Da |
| Heavy Atoms | 29 |
| Complexity | 844.0 |
| SMILES | CC1=C([C@@]2(C3=CC=CC=C3N(C2=O)CC(=O)OC)C(=C(O1)N)C(=O)OC)C(=O)C |
| InChIKey | SAMDDEPSDSGZTQ-FQEVSTJZSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-methyl 3'-acetyl-6'-amino-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-methyl 3'-acetyl-6'-amino-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate. Following Lipinski's Rule of Five, (S)-methyl 3'-acetyl-6'-amino-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-methyl 3'-acetyl-6'-amino-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate is 1212192-15-8.
The molecular formula of (S)-methyl 3'-acetyl-6'-amino-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate is C20H20N2O7.
The molecular weight of (S)-methyl 3'-acetyl-6'-amino-1-(2-methoxy-2-oxoethyl)-2'-methyl-2-oxospiro[indoline-3,4'-pyran]-5'-carboxylate is 400.12704 g/mol.
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