TL;DR: (S)-3'-ethyl 5'-methyl 2'-amino-1-(2-(benzyloxy)-2-oxoethyl)-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate (CAS 1212076-98-6) is a chemical compound with molecular formula C27H26N2O8 and molecular weight 506.1689 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-6'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3',5'-dicarboxylate
Also Known As: (S)-3'-ethyl 5'-methyl 2'-amino-1-(2-(benzyloxy)-2-oxoethyl)-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate, 3-O'-ethyl 5-O'-methyl (3S)-2'-amino-6'-methyl-2-oxo-1-(2-oxo-2-phenylmethoxyethyl)spiro[indole-3,4'-pyran]-3',5'-dicarboxylate
| Molecular Formula | C27H26N2O8 |
| Molecular Weight | 506.1689 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 506.1689 Da |
| Heavy Atoms | 37 |
| Complexity | 1010.0 |
| SMILES | CCOC(=O)C1=C(OC(=C([C@@]12C3=CC=CC=C3N(C2=O)CC(=O)OCC4=CC=CC=C4)C(=O)OC)C)N |
| InChIKey | SVPAPNDATQNETG-MHZLTWQESA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3'-ethyl 5'-methyl 2'-amino-1-(2-(benzyloxy)-2-oxoethyl)-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-3'-ethyl 5'-methyl 2'-amino-1-(2-(benzyloxy)-2-oxoethyl)-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate. Following Lipinski's Rule of Five, (S)-3'-ethyl 5'-methyl 2'-amino-1-(2-(benzyloxy)-2-oxoethyl)-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (S)-3'-ethyl 5'-methyl 2'-amino-1-(2-(benzyloxy)-2-oxoethyl)-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is 1212076-98-6.
The molecular formula of (S)-3'-ethyl 5'-methyl 2'-amino-1-(2-(benzyloxy)-2-oxoethyl)-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is C27H26N2O8.
The molecular weight of (S)-3'-ethyl 5'-methyl 2'-amino-1-(2-(benzyloxy)-2-oxoethyl)-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate is 506.1689 g/mol.
You can request a quote for (S)-3'-ethyl 5'-methyl 2'-amino-1-(2-(benzyloxy)-2-oxoethyl)-6'-methyl-2-oxospiro[indoline-3,4'-pyran]-3',5'-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
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