TL;DR: ethyl 4-(1,1',3,3'-tetraoxo-6-(p-tolyl)-1',3,3a,3',6,6a-hexahydrospiro[furo[3,4-c]pyrrole-4,2'-inden]-5(1H)-yl)benzoate (CAS 1005100-80-0) is a chemical compound with molecular formula C30H23NO7 and molecular weight 509.14746 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[6-(4-methylphenyl)-1,1',3,3'-tetraoxospiro[6,6a-dihydro-3aH-furo[3,4-c]pyrrole-4,2'-indene]-5-yl]benzoate
Also Known As: ethyl 4-(1,1',3,3'-tetraoxo-6-(p-tolyl)-1',3,3a,3',6,6a-hexahydrospiro[furo[3,4-c]pyrrole-4,2'-inden]-5(1H)-yl)benzoate, ethyl 4-[6-(4-methylphenyl)-1,1',3,3'-tetraoxo-1',3,3',3a,6,6a-hexahydrospiro[furo[3,4-c]pyrrole-4,2'-inden]-5(1H)-yl]benzoate, ethyl 4-[6-(4-methylphenyl)-1,1',3,3'-tetraoxospiro[6,6a-dihydro-3aH-furo[3,4-c]pyrrole-4,2'-indene]-5-yl]benzoate
| Molecular Formula | C30H23NO7 |
| Molecular Weight | 509.14746 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 509.14746 Da |
| Heavy Atoms | 38 |
| Complexity | 998.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(C3C(C24C(=O)C5=CC=CC=C5C4=O)C(=O)OC3=O)C6=CC=C(C=C6)C |
| InChIKey | UUKHULIOTLIELB-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that ethyl 4-(1,1',3,3'-tetraoxo-6-(p-tolyl)-1',3,3a,3',6,6a-hexahydrospiro[furo[3,4-c]pyrrole-4,2'-inden]-5(1H)-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 ethyl 4-(1,1',3,3'-tetraoxo-6-(p-tolyl)-1',3,3a,3',6,6a-hexahydrospiro[furo[3,4-c]pyrrole-4,2'-inden]-5(1H)-yl)benzoate. Following Lipinski's Rule of Five, ethyl 4-(1,1',3,3'-tetraoxo-6-(p-tolyl)-1',3,3a,3',6,6a-hexahydrospiro[furo[3,4-c]pyrrole-4,2'-inden]-5(1H)-yl)benzoate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of ethyl 4-(1,1',3,3'-tetraoxo-6-(p-tolyl)-1',3,3a,3',6,6a-hexahydrospiro[furo[3,4-c]pyrrole-4,2'-inden]-5(1H)-yl)benzoate is 1005100-80-0.
The molecular formula of ethyl 4-(1,1',3,3'-tetraoxo-6-(p-tolyl)-1',3,3a,3',6,6a-hexahydrospiro[furo[3,4-c]pyrrole-4,2'-inden]-5(1H)-yl)benzoate is C30H23NO7.
The molecular weight of ethyl 4-(1,1',3,3'-tetraoxo-6-(p-tolyl)-1',3,3a,3',6,6a-hexahydrospiro[furo[3,4-c]pyrrole-4,2'-inden]-5(1H)-yl)benzoate is 509.14746 g/mol.
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