TL;DR: 2'-(4-methoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile (CAS 1212337-32-0) is a chemical compound with molecular formula C29H26N2O4 and molecular weight 466.18927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,2-dimethylpropanoyl)-2-(4-methoxyphenyl)-1',3'-dioxospiro[3,8a-dihydro-2H-indolizine-1,2'-indene]-6-carbonitrile
Also Known As: 2'-(4-methoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile, 3'-(2,2-dimethylpropanoyl)-2'-(4-methoxyphenyl)-1,3-dioxo-1,2',3,3'-tetrahydro-8a'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile, 3-(2,2-dimethylpropanoyl)-2-(4-methoxyphenyl)-1',3'-dioxospiro[3,8a-dihydro-2H-indolizine-1,2'-indene]-6-carbonitrile
| Molecular Formula | C29H26N2O4 |
| Molecular Weight | 466.18927 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 87.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 466.18927 Da |
| Heavy Atoms | 35 |
| Complexity | 1010.0 |
| SMILES | CC(C)(C)C(=O)C1C(C2(C3N1C=C(C=C3)C#N)C(=O)C4=CC=CC=C4C2=O)C5=CC=C(C=C5)OC |
| InChIKey | FDALTLQEMBGQBF-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that 2'-(4-methoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-(4-methoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile. Following Lipinski's Rule of Five, 2'-(4-methoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2'-(4-methoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile is 1212337-32-0.
The molecular formula of 2'-(4-methoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile is C29H26N2O4.
The molecular weight of 2'-(4-methoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile is 466.18927 g/mol.
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