TL;DR: 1'-Acetyl-7'-chloro-1',2'-dihydro-2'-phenylspiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione (CAS 1217662-39-9) is a chemical compound with molecular formula C28H20ClNO3 and molecular weight 453.11316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-acetyl-7-chloro-2-phenylspiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione
Also Known As: 1'-Acetyl-7'-chloro-1',2'-dihydro-2'-phenylspiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione, 1'-acetyl-7'-chloro-2'-phenyl-1',2'-dihydro-3a'H-spiro[indene-2,3'-pyrrolo[1,2-a]quinoline]-1,3-dione, 1-acetyl-7-chloro-2-phenylspiro[2,3a-dihydro-1H-pyrrolo[1,2-a]quinoline-3,2'-indene]-1',3'-dione, 1a(2)-Acetyl-7a(2)-chloro-1a(2),2a(2)-dihydro-2a(2)-phenylspiro[2H-indene-2,3a(2)(3a(2)aH)-pyrrolo[1,2-a]quinoline]-1,3-dione
| Molecular Formula | C28H20ClNO3 |
| Molecular Weight | 453.11316 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 453.11316 Da |
| Heavy Atoms | 33 |
| Complexity | 852.0 |
| SMILES | CC(=O)C1C(C2(C3N1C4=C(C=C3)C=C(C=C4)Cl)C(=O)C5=CC=CC=C5C2=O)C6=CC=CC=C6 |
| InChIKey | RCBSKFGSQDRGLD-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that 1'-Acetyl-7'-chloro-1',2'-dihydro-2'-phenylspiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, 1'-Acetyl-7'-chloro-1',2'-dihydro-2'-phenylspiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1'-Acetyl-7'-chloro-1',2'-dihydro-2'-phenylspiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1'-Acetyl-7'-chloro-1',2'-dihydro-2'-phenylspiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione is 1217662-39-9.
The molecular formula of 1'-Acetyl-7'-chloro-1',2'-dihydro-2'-phenylspiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione is C28H20ClNO3.
The molecular weight of 1'-Acetyl-7'-chloro-1',2'-dihydro-2'-phenylspiro[2H-indene-2,3'(3'aH)-pyrrolo[1,2-a]quinoline]-1,3-dione is 453.11316 g/mol.
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