6-amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
TL;DR: 6-amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile (CAS 459153-37-8) is a chemical compound with molecular formula C20H19N5O2 and molecular weight 361.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,8aR)-6-amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile
Also Known As: 6-amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile, AM-807/12740136, (8R,8aR)-6-amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile, (8R,8aR)-6-amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
| Molecular Formula | C20H19N5O2 |
|---|---|
| Molecular Weight | 361.15 g/mol |
| LogP | 1.71674 |
| Topological Polar Surface Area | 127.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.15387 |
| Heavy Atoms | 27 |
| Complexity | 944.0549 |
Chemical Identifiers
| CAS Number | 459153-37-8 |
|---|---|
| SMILES | COC1=CC=CC(=C1OC)[C@@H]2[C@H]3CNCC=C3C(=C(C2(C#N)C#N)N)C#N |
Product Overview
6-amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile (CAS 459153-37-8), with molecular formula C20H19N5O2 and molecular weight 361.15 g/mol. IUPAC: (8R,8aR)-6-amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-1H-isoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of 6-amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
Property Insights of 6-amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
The XLogP value of 1.71674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile. The TPSA of 127.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile. Following Lipinski's Rule of Five, 6-amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile has 2 hydrogen bond donor(s) and 7 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-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
The CAS number of 6-amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile is 459153-37-8.
What is the molecular formula of 6-amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
The molecular formula of 6-amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile is C20H19N5O2.
What is the molecular weight of 6-amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
The molecular weight of 6-amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile is 361.15 g/mol.
Where can I buy 6-amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
You can request a quote for 6-amino-8-(2,3-dimethoxyphenyl)-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-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-8-(2,3-dimethoxyphenyl)-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.