![ethyl (8R,8aR)-6-amino-8-[2-[(4-chlorophenyl)methoxy]phenyl]-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate structure](/static/products/488/488783-77-3.png)
ethyl (8R,8aR)-6-amino-8-[2-[(4-chlorophenyl)methoxy]phenyl]-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
TL;DR: ethyl (8R,8aR)-6-amino-8-[2-[(4-chlorophenyl)methoxy]phenyl]-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate (CAS 488783-77-3) is a chemical compound with molecular formula C28H24ClN5O3 and molecular weight 513.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (8R,8aR)-6-amino-8-[2-[(4-chlorophenyl)methoxy]phenyl]-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Also Known As: ethyl (8R,8aR)-6-amino-8-[2-[(4-chlorophenyl)methoxy]phenyl]-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate, ethyl 6-amino-8-{2-[(4-chlorobenzyl)oxy]phenyl}-5,7,7-tricyano-3,7,8,8a-tetrahydro-2(1H)-isoquinolinecarboxylate, (8R,8aR)-ethyl 6-amino-8-(2-((4-chlorobenzyl)oxy)phenyl)-5,7,7-tricyano-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxylate, ethyl (8R,8aR)-6-amino-8-{2-[(4-chlorobenzyl)oxy]phenyl}-5,7,7-tricyano-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxylate
| Molecular Formula | C28H24ClN5O3 |
|---|---|
| Molecular Weight | 513.16 g/mol |
| LogP | 4.80084 |
| Topological Polar Surface Area | 136.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 513.15674 |
| Heavy Atoms | 37 |
| Complexity | 1380.6216 |
Chemical Identifiers
| CAS Number | 488783-77-3 |
|---|---|
| SMILES | CCOC(=O)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3OCC4=CC=C(C=C4)Cl |
Product Overview
ethyl (8R,8aR)-6-amino-8-[2-[(4-chlorophenyl)methoxy]phenyl]-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate (CAS 488783-77-3), with molecular formula C28H24ClN5O3 and molecular weight 513.16 g/mol. IUPAC: ethyl (8R,8aR)-6-amino-8-[2-[(4-chlorophenyl)methoxy]phenyl]-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate.
Chemical Property Profile of ethyl (8R,8aR)-6-amino-8-[2-[(4-chlorophenyl)methoxy]phenyl]-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
Property Insights of ethyl (8R,8aR)-6-amino-8-[2-[(4-chlorophenyl)methoxy]phenyl]-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate
The XLogP value of 4.80084 indicates that ethyl (8R,8aR)-6-amino-8-[2-[(4-chlorophenyl)methoxy]phenyl]-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.16 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (8R,8aR)-6-amino-8-[2-[(4-chlorophenyl)methoxy]phenyl]-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate. Following Lipinski's Rule of Five, ethyl (8R,8aR)-6-amino-8-[2-[(4-chlorophenyl)methoxy]phenyl]-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl (8R,8aR)-6-amino-8-[2-[(4-chlorophenyl)methoxy]phenyl]-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate?
The CAS number of ethyl (8R,8aR)-6-amino-8-[2-[(4-chlorophenyl)methoxy]phenyl]-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate is 488783-77-3.
What is the molecular formula of ethyl (8R,8aR)-6-amino-8-[2-[(4-chlorophenyl)methoxy]phenyl]-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate?
The molecular formula of ethyl (8R,8aR)-6-amino-8-[2-[(4-chlorophenyl)methoxy]phenyl]-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate is C28H24ClN5O3.
What is the molecular weight of ethyl (8R,8aR)-6-amino-8-[2-[(4-chlorophenyl)methoxy]phenyl]-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate?
The molecular weight of ethyl (8R,8aR)-6-amino-8-[2-[(4-chlorophenyl)methoxy]phenyl]-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate is 513.16 g/mol.
Where can I buy ethyl (8R,8aR)-6-amino-8-[2-[(4-chlorophenyl)methoxy]phenyl]-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate?
You can request a quote for ethyl (8R,8aR)-6-amino-8-[2-[(4-chlorophenyl)methoxy]phenyl]-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (8R,8aR)-6-amino-8-[2-[(4-chlorophenyl)methoxy]phenyl]-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (8R,8aR)-6-amino-8-[2-[(4-chlorophenyl)methoxy]phenyl]-5,7,7-tricyano-1,3,8,8a-tetrahydroisoquinoline-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.