TL;DR: (S)-3'-ethyl 5'-methyl 2'-amino-1-(2-amino-2-oxoethyl)-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate (CAS 1212399-83-1) is a chemical compound with molecular formula C22H23N3O9 and molecular weight 473.14343 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-(2-amino-2-oxoethyl)-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
Also Known As: (S)-3'-ethyl 5'-methyl 2'-amino-1-(2-amino-2-oxoethyl)-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate, 3-O'-ethyl 5-O'-methyl (3S)-2'-amino-1-(2-amino-2-oxoethyl)-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
| Molecular Formula | C22H23N3O9 |
| Molecular Weight | 473.14343 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 178.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 473.14343 Da |
| Heavy Atoms | 34 |
| Complexity | 986.0 |
| SMILES | CCOC(=O)C1=C(OC(=C([C@@]12C3=CC=CC=C3N(C2=O)CC(=O)N)C(=O)OC)CC(=O)OC)N |
| InChIKey | FXNNOKZJDGDDJJ-QFIPXVFZSA-N |
The XLogP value of -0.2 indicates that (S)-3'-ethyl 5'-methyl 2'-amino-1-(2-amino-2-oxoethyl)-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 178.0 Ų indicates high polarity, suggesting (S)-3'-ethyl 5'-methyl 2'-amino-1-(2-amino-2-oxoethyl)-6'-(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-(2-amino-2-oxoethyl)-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (S)-3'-ethyl 5'-methyl 2'-amino-1-(2-amino-2-oxoethyl)-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is 1212399-83-1.
The molecular formula of (S)-3'-ethyl 5'-methyl 2'-amino-1-(2-amino-2-oxoethyl)-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is C22H23N3O9.
The molecular weight of (S)-3'-ethyl 5'-methyl 2'-amino-1-(2-amino-2-oxoethyl)-6'-(2-methoxy-2-oxoethyl)-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is 473.14343 g/mol.
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