![diethyl 6-amino-5,7,7-tricyano-7,8a-dihydro-1H-spiro[isoquinoline-8,4'-piperidine]-1',2(3H)-dicarboxylate structure](/static/products/3534/353462-57-4.webp)
diethyl 6-amino-5,7,7-tricyano-7,8a-dihydro-1H-spiro[isoquinoline-8,4'-piperidine]-1',2(3H)-dicarboxylate
TL;DR: diethyl 6-amino-5,7,7-tricyano-7,8a-dihydro-1H-spiro[isoquinoline-8,4'-piperidine]-1',2(3H)-dicarboxylate (CAS 353462-57-4) is a chemical compound with molecular formula C22H26N6O4 and molecular weight 438.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate
Also Known As: diethyl 6-amino-5,7,7-tricyano-7,8a-dihydro-1H-spiro[isoquinoline-8,4'-piperidine]-1',2(3H)-dicarboxylate, diethyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate, 6-amino-1',2-bis(ethoxycarbonyl)-2,3,8,8a-tetrahydrospiro[isoquinoline-8,4'-piperidine]-5,7,7(1H)-tricarbonitrile, diethyl 6-amino-5,7,7-tricyano-1,3,7,8a-tetrahydro-1'H,2H-spiro[isoquinoline-8,4'-piperidine]-1',2-dicarboxylate
| Molecular Formula | C22H26N6O4 |
|---|---|
| Molecular Weight | 438.20 g/mol |
| LogP | 2.02334 |
| Topological Polar Surface Area | 156.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 438.20154 |
| Heavy Atoms | 32 |
| Complexity | 973.3619 |
Chemical Identifiers
| CAS Number | 353462-57-4 |
|---|---|
| SMILES | CCOC(=O)N1CCC2(CC1)C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC |
Product Overview
diethyl 6-amino-5,7,7-tricyano-7,8a-dihydro-1H-spiro[isoquinoline-8,4'-piperidine]-1',2(3H)-dicarboxylate (CAS 353462-57-4), with molecular formula C22H26N6O4 and molecular weight 438.20 g/mol. IUPAC: diethyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate.
Chemical Property Profile of diethyl 6-amino-5,7,7-tricyano-7,8a-dihydro-1H-spiro[isoquinoline-8,4'-piperidine]-1',2(3H)-dicarboxylate
Property Insights of diethyl 6-amino-5,7,7-tricyano-7,8a-dihydro-1H-spiro[isoquinoline-8,4'-piperidine]-1',2(3H)-dicarboxylate
The XLogP value of 2.02334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 6-amino-5,7,7-tricyano-7,8a-dihydro-1H-spiro[isoquinoline-8,4'-piperidine]-1',2(3H)-dicarboxylate. The TPSA of 156.47 Ų indicates high polarity, suggesting diethyl 6-amino-5,7,7-tricyano-7,8a-dihydro-1H-spiro[isoquinoline-8,4'-piperidine]-1',2(3H)-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, diethyl 6-amino-5,7,7-tricyano-7,8a-dihydro-1H-spiro[isoquinoline-8,4'-piperidine]-1',2(3H)-dicarboxylate has 1 hydrogen bond donor(s) and 8 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 diethyl 6-amino-5,7,7-tricyano-7,8a-dihydro-1H-spiro[isoquinoline-8,4'-piperidine]-1',2(3H)-dicarboxylate?
The CAS number of diethyl 6-amino-5,7,7-tricyano-7,8a-dihydro-1H-spiro[isoquinoline-8,4'-piperidine]-1',2(3H)-dicarboxylate is 353462-57-4.
What is the molecular formula of diethyl 6-amino-5,7,7-tricyano-7,8a-dihydro-1H-spiro[isoquinoline-8,4'-piperidine]-1',2(3H)-dicarboxylate?
The molecular formula of diethyl 6-amino-5,7,7-tricyano-7,8a-dihydro-1H-spiro[isoquinoline-8,4'-piperidine]-1',2(3H)-dicarboxylate is C22H26N6O4.
What is the molecular weight of diethyl 6-amino-5,7,7-tricyano-7,8a-dihydro-1H-spiro[isoquinoline-8,4'-piperidine]-1',2(3H)-dicarboxylate?
The molecular weight of diethyl 6-amino-5,7,7-tricyano-7,8a-dihydro-1H-spiro[isoquinoline-8,4'-piperidine]-1',2(3H)-dicarboxylate is 438.20 g/mol.
Where can I buy diethyl 6-amino-5,7,7-tricyano-7,8a-dihydro-1H-spiro[isoquinoline-8,4'-piperidine]-1',2(3H)-dicarboxylate?
You can request a quote for diethyl 6-amino-5,7,7-tricyano-7,8a-dihydro-1H-spiro[isoquinoline-8,4'-piperidine]-1',2(3H)-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 6-amino-5,7,7-tricyano-7,8a-dihydro-1H-spiro[isoquinoline-8,4'-piperidine]-1',2(3H)-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 6-amino-5,7,7-tricyano-7,8a-dihydro-1H-spiro[isoquinoline-8,4'-piperidine]-1',2(3H)-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.