TL;DR: ethyl 2-amino-8'-methoxy-4',4',6',7,7-pentamethyl-2',5-dioxo-5,6,7,8-tetrahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carboxylate (CAS 669719-65-7) is a chemical compound with molecular formula C28H32N2O6 and molecular weight 492.22604 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2'-amino-6-methoxy-7',7',9,11,11-pentamethyl-2,5'-dioxospiro[1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraene-3,4'-6,8-dihydrochromene]-3'-carboxylate
Also Known As: ethyl 2-amino-8'-methoxy-4',4',6',7,7-pentamethyl-2',5-dioxo-5,6,7,8-tetrahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carboxylate, ethyl 2-amino-8'-methoxy-4',4',6',7,7-pentamethyl-2',5-dioxo-2',4',5,6,7,8-hexahydrospiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carboxylate
| Molecular Formula | C28H32N2O6 |
| Molecular Weight | 492.22604 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 492.22604 Da |
| Heavy Atoms | 36 |
| Complexity | 1140.0 |
| SMILES | CCOC(=O)C1=C(OC2=C(C13C4=CC(=CC5=C4N(C3=O)C(C=C5C)(C)C)OC)C(=O)CC(C2)(C)C)N |
| InChIKey | ZSCVMTHXPQXJLB-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that ethyl 2-amino-8'-methoxy-4',4',6',7,7-pentamethyl-2',5-dioxo-5,6,7,8-tetrahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-amino-8'-methoxy-4',4',6',7,7-pentamethyl-2',5-dioxo-5,6,7,8-tetrahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carboxylate. Following Lipinski's Rule of Five, ethyl 2-amino-8'-methoxy-4',4',6',7,7-pentamethyl-2',5-dioxo-5,6,7,8-tetrahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ethyl 2-amino-8'-methoxy-4',4',6',7,7-pentamethyl-2',5-dioxo-5,6,7,8-tetrahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carboxylate is 669719-65-7.
The molecular formula of ethyl 2-amino-8'-methoxy-4',4',6',7,7-pentamethyl-2',5-dioxo-5,6,7,8-tetrahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carboxylate is C28H32N2O6.
The molecular weight of ethyl 2-amino-8'-methoxy-4',4',6',7,7-pentamethyl-2',5-dioxo-5,6,7,8-tetrahydro-4'H-spiro[chromene-4,1'-pyrrolo[3,2,1-ij]quinoline]-3-carboxylate is 492.22604 g/mol.
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