6-amino-2-ethyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
TL;DR: 6-amino-2-ethyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile (CAS 353461-46-8) is a chemical compound with molecular formula C19H18N6 and molecular weight 330.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-ethyl-8-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: 6-amino-2-ethyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 6-amino-2-ethyl-8-(3-pyridinyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile, 6-amino-2-ethyl-8-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, 6-AMINO-2-ETHYL-8-(PYRIDIN-3-YL)-1,2,3,7,8,8A-HEXAHYDROISOQUINOLINE-5,7,7-TRICARBONITRILE
| Molecular Formula | C19H18N6 |
|---|---|
| Molecular Weight | 330.16 g/mol |
| LogP | 1.82684 |
| Topological Polar Surface Area | 113.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.1593 |
| Heavy Atoms | 25 |
| Complexity | 847.9059 |
Chemical Identifiers
| CAS Number | 353461-46-8 |
|---|---|
| SMILES | CCN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CN=CC=C3 |
Product Overview
6-amino-2-ethyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile (CAS 353461-46-8), with molecular formula C19H18N6 and molecular weight 330.16 g/mol. IUPAC: 6-amino-2-ethyl-8-pyridin-3-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of 6-amino-2-ethyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Property Insights of 6-amino-2-ethyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
The XLogP value of 1.82684 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-2-ethyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile. The TPSA of 113.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-2-ethyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile. Following Lipinski's Rule of Five, 6-amino-2-ethyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile has 1 hydrogen bond donor(s) and 6 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-2-ethyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile?
The CAS number of 6-amino-2-ethyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile is 353461-46-8.
What is the molecular formula of 6-amino-2-ethyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile?
The molecular formula of 6-amino-2-ethyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile is C19H18N6.
What is the molecular weight of 6-amino-2-ethyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile?
The molecular weight of 6-amino-2-ethyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile is 330.16 g/mol.
Where can I buy 6-amino-2-ethyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile?
You can request a quote for 6-amino-2-ethyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-amino-2-ethyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-2-ethyl-8-(pyridin-3-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.