TL;DR: 5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone (CAS 1005156-78-4) is a chemical compound with molecular formula C28H20FNO7 and molecular weight 501.12238 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
Also Known As: 5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone, 5-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)spiro[3a,6a-dihydro-1H-furo[3,4-c]pyrrole-3,2'-indene]-1',3',4,6-tetrone
| Molecular Formula | C28H20FNO7 |
| Molecular Weight | 501.12238 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 99.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 501.12238 Da |
| Heavy Atoms | 37 |
| Complexity | 942.0 |
| SMILES | COC1=CC(=CC(=C1)N2C(=O)C3C(C2=O)C4(C(=O)C5=CC=CC=C5C4=O)OC3C6=CC=C(C=C6)F)OC |
| InChIKey | NKQBDCJKUPTWJP-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-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 99.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone. Following Lipinski's Rule of Five, 5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-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 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone is 1005156-78-4.
The molecular formula of 5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone is C28H20FNO7.
The molecular weight of 5-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-3a,6a-dihydrospiro[furo[3,4-c]pyrrole-1,2'-indene]-1',3',4,6(3H,5H)-tetrone is 501.12238 g/mol.
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