(8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate
TL;DR: (8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate (CAS 1212376-13-0) is a chemical compound with molecular formula C29H34N6O5 and molecular weight 546.2591 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: (8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate, ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-[3-ethoxy-4-(2-morpholin-4-ylethoxy)phenyl]-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate, ethyl (8S,8aR)-6-amino-5,7,7-tricyano-8-{3-ethoxy-4-[2-(morpholin-4-yl)ethoxy]phenyl}-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
Technical Specifications
| Molecular Formula | C29H34N6O5 |
| Molecular Weight | 546.2591 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 158.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 546.2591 Da |
| Heavy Atoms | 40 |
| Complexity | 1130.0 |
| SMILES | CCOC1=C(C=CC(=C1)[C@@H]2[C@H]3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)OCC)OCCN4CCOCC4 |
| InChIKey | JNGUHFCCOAKBHN-JYFHCDHNSA-N |
Chemical Property Profile of (8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate
Property Insights of (8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate. The TPSA of 158.0 Ų indicates high polarity, suggesting (8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate?
The CAS number of (8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate is 1212376-13-0.
What is the molecular formula of (8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate?
The molecular formula of (8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate is C29H34N6O5.
What is the molecular weight of (8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate?
The molecular weight of (8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate is 546.2591 g/mol.
Where can I buy (8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate?
You can request a quote for (8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate?
Yes, CoreyChem provides custom synthesis services for (8S,8aR)-ethyl 6-amino-5,7,7-tricyano-8-(3-ethoxy-4-(2-morpholinoethoxy)phenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.