![3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile structure](/static/products/828/82820-48-2.png)
3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile
TL;DR: 3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile (CAS 82820-48-2) is a chemical compound with molecular formula C23H16N4O4 and molecular weight 412.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile
Also Known As: 3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile, 3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-, 3'-Amino-2,5'-dimethyl-1,3,6'-trioxo-2,3,5',6'-tetrahydro-1H-spiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile
| Molecular Formula | C23H16N4O4 |
|---|---|
| Molecular Weight | 412.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 412.11716 |
| Heavy Atoms | 31 |
| Complexity | 1000.0 |
Chemical Identifiers
| CAS Number | 82820-48-2 |
|---|---|
| SMILES | CN1C2=C(C3=CC=CC=C3C1=O)C4(C5=CC=CC=C5C(=O)N(C4=O)C)C(=C(O2)N)C#N |
| InChIKey | XUIBTSBVWSUXMS-UHFFFAOYSA-N |
Product Overview
3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile (CAS 82820-48-2), with molecular formula C23H16N4O4 and molecular weight 412.12 g/mol. IUPAC: 3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile.
Chemical Property Profile of 3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile
Property Insights of 3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile. Following Lipinski's Rule of Five, 3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-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 3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile?
The CAS number of 3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile is 82820-48-2.
What is the molecular formula of 3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile?
The molecular formula of 3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile is C23H16N4O4.
What is the molecular weight of 3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile?
The molecular weight of 3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile is 412.12 g/mol.
Where can I buy 3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile?
You can request a quote for 3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3'-amino-2,5'-dimethyl-1,3,6'-trioxospiro[isoquinoline-4,1'-pyrano[2,3-c]isoquinoline]-2'-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.