6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
TL;DR: 6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile (CAS 494792-00-6) is a chemical compound with molecular formula C20H17Cl2N5 and molecular weight 397.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,8aR)-6-amino-8-(2,5-dichlorophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: 6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile, AM-807/12427174, (8R,8aR)-6-amino-8-(2,5-dichlorophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, (8R,8aR)-6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
| Molecular Formula | C20H17Cl2N5 |
|---|---|
| Molecular Weight | 397.09 g/mol |
| LogP | 3.73864 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 397.0861 |
| Heavy Atoms | 27 |
| Complexity | 959.55695 |
Chemical Identifiers
| CAS Number | 494792-00-6 |
|---|---|
| SMILES | CCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)Cl)Cl |
Product Overview
6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile (CAS 494792-00-6), with molecular formula C20H17Cl2N5 and molecular weight 397.09 g/mol. IUPAC: (8R,8aR)-6-amino-8-(2,5-dichlorophenyl)-2-ethyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of 6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
Property Insights of 6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
The XLogP value of 3.73864 indicates that 6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile. Following Lipinski's Rule of Five, 6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile has 1 hydrogen bond donor(s) and 5 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 6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
The CAS number of 6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile is 494792-00-6.
What is the molecular formula of 6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
The molecular formula of 6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile is C20H17Cl2N5.
What is the molecular weight of 6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
The molecular weight of 6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile is 397.09 g/mol.
Where can I buy 6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
You can request a quote for 6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-8-(2,5-dichlorophenyl)-2-ethyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.