TL;DR: 5-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone (CAS 1005053-13-3) is a chemical compound with molecular formula C29H21ClFNO5 and molecular weight 517.10925 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
Also Known As: 5-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone, AJ-292/41686064, 5-(3-chloro-4-fluorophenyl)-3-[4-(propan-2-yl)phenyl]-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone, 5-(3-chloro-4-fluorophenyl)-1-(4-isopropylphenyl)-3a,6a-dihydrospiro(1H-furo[3,4-c]pyrrole-3,2'-[1H]-indene)-1',3',4,6(2'H,3H,5H)-tetrone, 2-(3-chloro-4-fluorophenyl)-4-[4-(methylethyl)phenyl]spiro[2,4,5,6,3a,6a-hexah ydro-5-oxa-2-azapentalene-6,2'-2-hydrocyclopenta[1,2-a]benzene]-1,3,9,11-tetra one
| Molecular Formula | C29H21ClFNO5 |
| Molecular Weight | 517.10925 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 80.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 517.10925 Da |
| Heavy Atoms | 37 |
| Complexity | 969.0 |
| SMILES | CC(C)C1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl)C5(O2)C(=O)C6=CC=CC=C6C5=O |
| InChIKey | RVURBOGPHSVYAN-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that 5-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylphenyl)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-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylphenyl)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-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylphenyl)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 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone is 1005053-13-3.
The molecular formula of 5-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone is C29H21ClFNO5.
The molecular weight of 5-(3-chloro-4-fluorophenyl)-1-(4-propan-2-ylphenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone is 517.10925 g/mol.
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