TL;DR: (S)-3'-ethyl 5'-methyl 2'-amino-1,6'-bis(2-methoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate (CAS 1212252-64-6) is a chemical compound with molecular formula C23H24N2O10 and molecular weight 488.1431 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-O'-ethyl 5-O'-methyl (3S)-2'-amino-1,6'-bis(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
Also Known As: (S)-3'-ethyl 5'-methyl 2'-amino-1,6'-bis(2-methoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate, 3-O'-ethyl 5-O'-methyl (3S)-2'-amino-1,6'-bis(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
| Molecular Formula | C23H24N2O10 |
| Molecular Weight | 488.1431 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 161.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 488.1431 Da |
| Heavy Atoms | 35 |
| Complexity | 1000.0 |
| SMILES | CCOC(=O)C1=C(OC(=C([C@@]12C3=CC=CC=C3N(C2=O)CC(=O)OC)C(=O)OC)CC(=O)OC)N |
| InChIKey | AVOABJNANWVFGJ-QHCPKHFHSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3'-ethyl 5'-methyl 2'-amino-1,6'-bis(2-methoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate. The TPSA of 161.0 Ų indicates high polarity, suggesting (S)-3'-ethyl 5'-methyl 2'-amino-1,6'-bis(2-methoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (S)-3'-ethyl 5'-methyl 2'-amino-1,6'-bis(2-methoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (S)-3'-ethyl 5'-methyl 2'-amino-1,6'-bis(2-methoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is 1212252-64-6.
The molecular formula of (S)-3'-ethyl 5'-methyl 2'-amino-1,6'-bis(2-methoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is C23H24N2O10.
The molecular weight of (S)-3'-ethyl 5'-methyl 2'-amino-1,6'-bis(2-methoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is 488.1431 g/mol.
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