TL;DR: (S)-butyl 2'-amino-1-(2-methoxy-2-oxoethyl)-2,5'-dioxo-5'H-spiro[indoline-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate (CAS 1212218-75-1) is a chemical compound with molecular formula C27H24N2O8 and molecular weight 504.15326 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl (3S)-2'-amino-1-(2-methoxy-2-oxoethyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate
Also Known As: (S)-butyl 2'-amino-1-(2-methoxy-2-oxoethyl)-2,5'-dioxo-5'H-spiro[indoline-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate, butyl (3S)-2'-amino-1-(2-methoxy-2-oxoethyl)-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate, butyl (3S)-2'-amino-1-(2-methoxy-2-oxoethyl)-2,5'-dioxospiro[indole-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate
| Molecular Formula | C27H24N2O8 |
| Molecular Weight | 504.15326 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.15326 Da |
| Heavy Atoms | 37 |
| Complexity | 1060.0 |
| SMILES | CCCCOC(=O)C1=C(OC2=C([C@@]13C4=CC=CC=C4N(C3=O)CC(=O)OC)C(=O)OC5=CC=CC=C52)N |
| InChIKey | WCNSDFYYPNPUIS-MHZLTWQESA-N |
The XLogP value of 3.2 indicates that (S)-butyl 2'-amino-1-(2-methoxy-2-oxoethyl)-2,5'-dioxo-5'H-spiro[indoline-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-butyl 2'-amino-1-(2-methoxy-2-oxoethyl)-2,5'-dioxo-5'H-spiro[indoline-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate. Following Lipinski's Rule of Five, (S)-butyl 2'-amino-1-(2-methoxy-2-oxoethyl)-2,5'-dioxo-5'H-spiro[indoline-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (S)-butyl 2'-amino-1-(2-methoxy-2-oxoethyl)-2,5'-dioxo-5'H-spiro[indoline-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate is 1212218-75-1.
The molecular formula of (S)-butyl 2'-amino-1-(2-methoxy-2-oxoethyl)-2,5'-dioxo-5'H-spiro[indoline-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate is C27H24N2O8.
The molecular weight of (S)-butyl 2'-amino-1-(2-methoxy-2-oxoethyl)-2,5'-dioxo-5'H-spiro[indoline-3,4'-pyrano[3,2-c]chromene]-3'-carboxylate is 504.15326 g/mol.
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