(8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
TL;DR: (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile (CAS 1212426-97-5) is a chemical compound with molecular formula C20H17ClN6O2 and molecular weight 408.11014 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Technical Specifications
| Molecular Formula | C20H17ClN6O2 |
| Molecular Weight | 408.11014 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.11014 Da |
| Heavy Atoms | 29 |
| Complexity | 907.0 |
| SMILES | CCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=C(C=C3)Cl)[N+](=O)[O-] |
| InChIKey | UESUBFIIKWYOTQ-FUHWJXTLSA-N |
Chemical Property Profile of (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Property Insights of (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile. The TPSA of 146.0 Ų indicates high polarity, suggesting (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile?
The CAS number of (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile is 1212426-97-5.
What is the molecular formula of (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile?
The molecular formula of (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile is C20H17ClN6O2.
What is the molecular weight of (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile?
The molecular weight of (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile is 408.11014 g/mol.
Where can I buy (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile?
You can request a quote for (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile?
Yes, CoreyChem provides custom synthesis services for (8S,8aR)-6-amino-8-(4-chloro-2-nitrophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.