TL;DR: AJ-292/41686075 (CAS 1005095-39-5) is a chemical compound with molecular formula C27H18BrNO6 and molecular weight 531.03174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-bromophenyl)-5-(4-methoxyphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
Also Known As: AJ-292/41686075, 1-(2-bromophenyl)-5-(4-methoxyphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone, 3-(2-bromophenyl)-5-(4-methoxyphenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone, 3-(2-BROMOPHENYL)-5-(4-METHOXYPHENYL)-1',3,3',3A,4,5,6,6A-OCTAHYDROSPIRO[FURO[3,4-C]PYRROLE-1,2'-INDENE]-1',3',4,6-TETRONE, 3-(2-bromophenyl)-5-(4-methoxyphenyl)-3,3a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(5H,6aH)-tetraone
| Molecular Formula | C27H18BrNO6 |
| Molecular Weight | 531.03174 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 90.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 531.03174 Da |
| Heavy Atoms | 35 |
| Complexity | 905.0 |
| SMILES | COC1=CC=C(C=C1)N2C(=O)C3C(C2=O)C4(C(=O)C5=CC=CC=C5C4=O)OC3C6=CC=CC=C6Br |
| InChIKey | NPKNPXIUMNKCIR-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that AJ-292/41686075 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/41686075. Following Lipinski's Rule of Five, AJ-292/41686075 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of AJ-292/41686075 is 1005095-39-5.
The molecular formula of AJ-292/41686075 is C27H18BrNO6.
The molecular weight of AJ-292/41686075 is 531.03174 g/mol.
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