TL;DR: (E)-ethyl 4-(1',3',4,6-tetraoxo-3-styryl-1',3a,3',4,6,6a-hexahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-5(3H)-yl)benzoate (CAS 1166836-37-8) is a chemical compound with molecular formula C31H23NO7 and molecular weight 521.14746 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[1',3',4,6-tetraoxo-1-[(E)-2-phenylethenyl]spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-5-yl]benzoate
Also Known As: (E)-ethyl 4-(1',3',4,6-tetraoxo-3-styryl-1',3a,3',4,6,6a-hexahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-5(3H)-yl)benzoate, ethyl 4-[1',3',4,6-tetraoxo-1-[(E)-2-phenylethenyl]spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-5-yl]benzoate, ETHYL 4-{1',3',4,6-TETRAOXO-3-[(1E)-2-PHENYLETHENYL]-1',3,3',3A,4,5,6,6A-OCTAHYDROSPIRO[FURO[3,4-C]PYRROLE-1,2'-INDEN]-5-YL}BENZOATE, ethyl 4-{1',3',4,6-tetraoxo-3-[(E)-2-phenylethenyl]-1',3',3a,4,6,6a-hexahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-5(3H)-yl}benzoate
| Molecular Formula | C31H23NO7 |
| Molecular Weight | 521.14746 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.14746 Da |
| Heavy Atoms | 39 |
| Complexity | 1040.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3C(OC4(C3C2=O)C(=O)C5=CC=CC=C5C4=O)/C=C/C6=CC=CC=C6 |
| InChIKey | XIGLDBCHPWVDID-SFQUDFHCSA-N |
The XLogP value of 3.9 indicates that (E)-ethyl 4-(1',3',4,6-tetraoxo-3-styryl-1',3a,3',4,6,6a-hexahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-5(3H)-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 4-(1',3',4,6-tetraoxo-3-styryl-1',3a,3',4,6,6a-hexahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-5(3H)-yl)benzoate. Following Lipinski's Rule of Five, (E)-ethyl 4-(1',3',4,6-tetraoxo-3-styryl-1',3a,3',4,6,6a-hexahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-5(3H)-yl)benzoate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E)-ethyl 4-(1',3',4,6-tetraoxo-3-styryl-1',3a,3',4,6,6a-hexahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-5(3H)-yl)benzoate is 1166836-37-8.
The molecular formula of (E)-ethyl 4-(1',3',4,6-tetraoxo-3-styryl-1',3a,3',4,6,6a-hexahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-5(3H)-yl)benzoate is C31H23NO7.
The molecular weight of (E)-ethyl 4-(1',3',4,6-tetraoxo-3-styryl-1',3a,3',4,6,6a-hexahydrospiro[furo[3,4-c]pyrrole-1,2'-inden]-5(3H)-yl)benzoate is 521.14746 g/mol.
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