![2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile structure](/static/products/1197/119771-42-5.webp)
2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile
TL;DR: 2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile (CAS 119771-42-5) is a chemical compound with molecular formula C20H16N2O4 and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-7,7-dimethyl-1',3',5-trioxospiro[6,8-dihydrochromene-4,2'-indene]-3-carbonitrile
Also Known As: 2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile, 2-amino-7,7-dimethyl-1',3',5-trioxospiro[6,8-dihydrochromene-4,2'-indene]-3-carbonitrile, 2-amino-7,7-dimethyl-5,11,13-trioxospiro[4,6,7,8-tetrahydro2H-chromene-4,2'-indane]-3-carbonitrile, 2-amino-7,7-dimethyl-1',3',5-trioxo-6,8-dihydrospiro[chromene-4,2'-indene]-3-carbonitrile, 2-amino-7,7-dimethyl-1',3',5-trioxo-spiro[6,8-dihydrochromene-4,2'-indane]-3-carbonitrile
| Molecular Formula | C20H16N2O4 |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 2.41928 |
| Topological Polar Surface Area | 110.25 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 348.111 |
| Heavy Atoms | 26 |
| Complexity | 985.49194 |
Chemical Identifiers
| CAS Number | 119771-42-5 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C3(C(=C(O2)N)C#N)C(=O)C4=CC=CC=C4C3=O)C |
Product Overview
2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile (CAS 119771-42-5), with molecular formula C20H16N2O4 and molecular weight 348.11 g/mol. IUPAC: 2-amino-7,7-dimethyl-1',3',5-trioxospiro[6,8-dihydrochromene-4,2'-indene]-3-carbonitrile.
Chemical Property Profile of 2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile
Property Insights of 2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile
The XLogP value of 2.41928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile. The TPSA of 110.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile. Following Lipinski's Rule of Five, 2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile has 1 hydrogen bond donor(s) and 6 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-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile?
The CAS number of 2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile is 119771-42-5.
What is the molecular formula of 2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile?
The molecular formula of 2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile is C20H16N2O4.
What is the molecular weight of 2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile?
The molecular weight of 2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile is 348.11 g/mol.
Where can I buy 2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile?
You can request a quote for 2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-7,7-dimethyl-1',3',5-trioxo-1',3',5,6,7,8-hexahydrospiro[chromene-4,2'-indene]-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.