TL;DR: (S)-3'-(2-methoxyethyl) 5'-methyl 2'-amino-6'-(methoxymethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate (CAS 1212230-60-8) is a chemical compound with molecular formula C20H22N2O8 and molecular weight 418.1376 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-O'-(2-methoxyethyl) 5-O'-methyl (3S)-2'-amino-6'-(methoxymethyl)-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
Also Known As: (S)-3'-(2-methoxyethyl) 5'-methyl 2'-amino-6'-(methoxymethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate, 3-O'-(2-methoxyethyl) 5-O'-methyl (3S)-2'-amino-6'-(methoxymethyl)-2-oxospiro[1H-indole-3,4'-pyran]-3',5'-dicarboxylate
| Molecular Formula | C20H22N2O8 |
| Molecular Weight | 418.1376 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 418.1376 Da |
| Heavy Atoms | 30 |
| Complexity | 790.0 |
| SMILES | COCCOC(=O)C1=C(OC(=C([C@@]12C3=CC=CC=C3NC2=O)C(=O)OC)COC)N |
| InChIKey | JCIRPUNDTZCVBP-FQEVSTJZSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3'-(2-methoxyethyl) 5'-methyl 2'-amino-6'-(methoxymethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3'-(2-methoxyethyl) 5'-methyl 2'-amino-6'-(methoxymethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate. Following Lipinski's Rule of Five, (S)-3'-(2-methoxyethyl) 5'-methyl 2'-amino-6'-(methoxymethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-3'-(2-methoxyethyl) 5'-methyl 2'-amino-6'-(methoxymethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is 1212230-60-8.
The molecular formula of (S)-3'-(2-methoxyethyl) 5'-methyl 2'-amino-6'-(methoxymethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is C20H22N2O8.
The molecular weight of (S)-3'-(2-methoxyethyl) 5'-methyl 2'-amino-6'-(methoxymethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is 418.1376 g/mol.
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