TL;DR: 3-(2-bromophenyl)-5-(3,4-dimethylphenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone (CAS 1005119-07-2) 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.
1-(2-bromophenyl)-5-(3,4-dimethylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
Also Known As: 3-(2-bromophenyl)-5-(3,4-dimethylphenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone, 1-(2-bromophenyl)-5-(3,4-dimethylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone, 2-(3,4-dimethylphenyl)-4-(2-bromophenyl)spiro[2,4,5,6,3a,6a-hexahydro-5-oxa-2- azapentalene-6,2'-2-hydrocyclopenta[1,2-a]benzene]-1,3,9,11-tetraone, 3-(2-bromophenyl)-5-(3,4-dimethylphenyl)-3,3a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(5H,6aH)-tetraone
| 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 | 2 |
| Exact Mass | 529.0525 Da |
| Heavy Atoms | 35 |
| Complexity | 926.0 |
| SMILES | CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)C4(C(=O)C5=CC=CC=C5C4=O)OC3C6=CC=CC=C6Br)C |
| InChIKey | NQRWURDKCRNNDO-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 3-(2-bromophenyl)-5-(3,4-dimethylphenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-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 3-(2-bromophenyl)-5-(3,4-dimethylphenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone. Following Lipinski's Rule of Five, 3-(2-bromophenyl)-5-(3,4-dimethylphenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(2-bromophenyl)-5-(3,4-dimethylphenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone is 1005119-07-2.
The molecular formula of 3-(2-bromophenyl)-5-(3,4-dimethylphenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone is C28H20BrNO5.
The molecular weight of 3-(2-bromophenyl)-5-(3,4-dimethylphenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone is 529.0525 g/mol.
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