![ditert-butyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate structure](/static/products/3025/302588-89-2.webp)
ditert-butyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate
TL;DR: ditert-butyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate (CAS 302588-89-2) is a chemical compound with molecular formula C26H34N6O4 and molecular weight 494.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ditert-butyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate
Also Known As: ditert-butyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate, 6-amino-1',2-bis(tert-butoxycarbonyl)-2,3,8,8a-tetrahydrospiro[isoquinoline-8,4'-piperidine]-5,7,7(1H)-tricarbonitrile, di-tert-butyl 6-amino-5,7,7-tricyano-1,3,7,8a-tetrahydro-1'H,2H-spiro[isoquinoline-8,4'-piperidine]-1',2-dicarboxylate, di-tert-butyl 6-amino-5,7,7-tricyano-7,8a-dihydro-1H-spiro[isoquinoline-8,4'-piperidine]-1',2(3H)-dicarboxylate
| Molecular Formula | C26H34N6O4 |
|---|---|
| Molecular Weight | 494.26 g/mol |
| LogP | 3.58054 |
| Topological Polar Surface Area | 156.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 494.26416 |
| Heavy Atoms | 36 |
| Complexity | 1113.3807 |
Chemical Identifiers
| CAS Number | 302588-89-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC2(CC1)C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OC(C)(C)C |
Product Overview
ditert-butyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate (CAS 302588-89-2), with molecular formula C26H34N6O4 and molecular weight 494.26 g/mol. IUPAC: ditert-butyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate.
Chemical Property Profile of ditert-butyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate
Property Insights of ditert-butyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate
The XLogP value of 3.58054 indicates that ditert-butyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.47 Ų indicates high polarity, suggesting ditert-butyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ditert-butyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-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 ditert-butyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate?
The CAS number of ditert-butyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate is 302588-89-2.
What is the molecular formula of ditert-butyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate?
The molecular formula of ditert-butyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate is C26H34N6O4.
What is the molecular weight of ditert-butyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate?
The molecular weight of ditert-butyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate is 494.26 g/mol.
Where can I buy ditert-butyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate?
You can request a quote for ditert-butyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ditert-butyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ditert-butyl 6-amino-5,7,7-tricyanospiro[3,8a-dihydro-1H-isoquinoline-8,4'-piperidine]-1',2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.