![TERT-BUTYL 6-AMINO-5,7,7-TRICYANO-8-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-2-CARBOXYLATE structure](/static/products/1212/1212459-44-3.webp)
TERT-BUTYL 6-AMINO-5,7,7-TRICYANO-8-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-2-CARBOXYLATE
TL;DR: TERT-BUTYL 6-AMINO-5,7,7-TRICYANO-8-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-2-CARBOXYLATE (CAS 1212459-44-3) is a chemical compound with molecular formula C24H22F3N5O2 and molecular weight 469.17255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 6-amino-5,7,7-tricyano-8-[4-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: TERT-BUTYL 6-AMINO-5,7,7-TRICYANO-8-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-2-CARBOXYLATE, tert-butyl 6-amino-5,7,7-tricyano-8-[4-(trifluoromethyl)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Technical Specifications
| Molecular Formula | C24H22F3N5O2 |
| Molecular Weight | 469.17255 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 469.17255 Da |
| Heavy Atoms | 34 |
| Complexity | 1050.0 |
| SMILES | CC(C)(C)OC(=O)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)C(F)(F)F |
| InChIKey | KKJDAOCBMTWJPY-UHFFFAOYSA-N |
Chemical Property Profile of TERT-BUTYL 6-AMINO-5,7,7-TRICYANO-8-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-2-CARBOXYLATE
Property Insights of TERT-BUTYL 6-AMINO-5,7,7-TRICYANO-8-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-2-CARBOXYLATE
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for TERT-BUTYL 6-AMINO-5,7,7-TRICYANO-8-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-2-CARBOXYLATE. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for TERT-BUTYL 6-AMINO-5,7,7-TRICYANO-8-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-2-CARBOXYLATE. Following Lipinski's Rule of Five, TERT-BUTYL 6-AMINO-5,7,7-TRICYANO-8-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-2-CARBOXYLATE has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of TERT-BUTYL 6-AMINO-5,7,7-TRICYANO-8-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-2-CARBOXYLATE?
The CAS number of TERT-BUTYL 6-AMINO-5,7,7-TRICYANO-8-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-2-CARBOXYLATE is 1212459-44-3.
What is the molecular formula of TERT-BUTYL 6-AMINO-5,7,7-TRICYANO-8-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-2-CARBOXYLATE?
The molecular formula of TERT-BUTYL 6-AMINO-5,7,7-TRICYANO-8-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-2-CARBOXYLATE is C24H22F3N5O2.
What is the molecular weight of TERT-BUTYL 6-AMINO-5,7,7-TRICYANO-8-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-2-CARBOXYLATE?
The molecular weight of TERT-BUTYL 6-AMINO-5,7,7-TRICYANO-8-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-2-CARBOXYLATE is 469.17255 g/mol.
Where can I buy TERT-BUTYL 6-AMINO-5,7,7-TRICYANO-8-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-2-CARBOXYLATE?
You can request a quote for TERT-BUTYL 6-AMINO-5,7,7-TRICYANO-8-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-2-CARBOXYLATE directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for TERT-BUTYL 6-AMINO-5,7,7-TRICYANO-8-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-2-CARBOXYLATE?
Yes, CoreyChem provides custom synthesis services for TERT-BUTYL 6-AMINO-5,7,7-TRICYANO-8-[4-(TRIFLUOROMETHYL)PHENYL]-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-2-CARBOXYLATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.