TL;DR: 5-(4-bromophenyl)-1-(4-ethylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone (CAS 1005159-76-1) is a chemical compound with molecular formula C28H20BrNO5 and molecular weight 529.0525 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4-bromophenyl)-1-(4-ethylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
Also Known As: 5-(4-bromophenyl)-1-(4-ethylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone, 5-(4-bromophenyl)-3-(4-ethylphenyl)-3,3a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(5H,6aH)-tetraone, 5-(4-bromophenyl)-3-(4-ethylphenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone
| Molecular Formula | C28H20BrNO5 |
| Molecular Weight | 529.0525 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 80.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 529.0525 Da |
| Heavy Atoms | 35 |
| Complexity | 894.0 |
| SMILES | CCC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)Br)C5(O2)C(=O)C6=CC=CC=C6C5=O |
| InChIKey | ZRPGTTSPJMYSLQ-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 5-(4-bromophenyl)-1-(4-ethylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-bromophenyl)-1-(4-ethylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone. Following Lipinski's Rule of Five, 5-(4-bromophenyl)-1-(4-ethylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-(4-bromophenyl)-1-(4-ethylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone is 1005159-76-1.
The molecular formula of 5-(4-bromophenyl)-1-(4-ethylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone is C28H20BrNO5.
The molecular weight of 5-(4-bromophenyl)-1-(4-ethylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone is 529.0525 g/mol.
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