![2'-(2,3-dimethoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile structure](/static/products/116/1164523-81-2.png)
2'-(2,3-dimethoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile
TL;DR: 2'-(2,3-dimethoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile (CAS 1164523-81-2) is a chemical compound with molecular formula C30H28N2O5 and molecular weight 496.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-1',3'-dioxospiro[3,8a-dihydro-2H-indolizine-1,2'-indene]-6-carbonitrile
Also Known As: 2'-(2,3-dimethoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile, 2'-(2,3-dimethoxyphenyl)-3'-(2,2-dimethylpropanoyl)-1,3-dioxo-1,2',3,3'-tetrahydro-8a'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile, 2-(2,3-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-1',3'-dioxospiro[3,8a-dihydro-2H-indolizine-1,2'-indene]-6-carbonitrile
| Molecular Formula | C30H28N2O5 |
|---|---|
| Molecular Weight | 496.20 g/mol |
| LogP | 4.49828 |
| Topological Polar Surface Area | 96.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 496.19983 |
| Heavy Atoms | 37 |
| Complexity | 1403.5975 |
Chemical Identifiers
| CAS Number | 1164523-81-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)C1C(C2(C3N1C=C(C=C3)C#N)C(=O)C4=CC=CC=C4C2=O)C5=C(C(=CC=C5)OC)OC |
Product Overview
2'-(2,3-dimethoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile (CAS 1164523-81-2), with molecular formula C30H28N2O5 and molecular weight 496.20 g/mol. IUPAC: 2-(2,3-dimethoxyphenyl)-3-(2,2-dimethylpropanoyl)-1',3'-dioxospiro[3,8a-dihydro-2H-indolizine-1,2'-indene]-6-carbonitrile.
Chemical Property Profile of 2'-(2,3-dimethoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile
Property Insights of 2'-(2,3-dimethoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile
The XLogP value of 4.49828 indicates that 2'-(2,3-dimethoxyphenyl)-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 96.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-(2,3-dimethoxyphenyl)-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'-(2,3-dimethoxyphenyl)-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 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2'-(2,3-dimethoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile?
The CAS number of 2'-(2,3-dimethoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile is 1164523-81-2.
What is the molecular formula of 2'-(2,3-dimethoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile?
The molecular formula of 2'-(2,3-dimethoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile is C30H28N2O5.
What is the molecular weight of 2'-(2,3-dimethoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile?
The molecular weight of 2'-(2,3-dimethoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile is 496.20 g/mol.
Where can I buy 2'-(2,3-dimethoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile?
You can request a quote for 2'-(2,3-dimethoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2'-(2,3-dimethoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2'-(2,3-dimethoxyphenyl)-1,3-dioxo-3'-pivaloyl-1,3,3',8a'-tetrahydro-2'H-spiro[indene-2,1'-indolizine]-6'-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.