6-amino-8-(2,5-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
TL;DR: 6-amino-8-(2,5-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile (CAS 494792-74-4) is a chemical compound with molecular formula C23H25N5O2 and molecular weight 403.20 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-dimethoxyphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: 6-amino-8-(2,5-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile, AM-807/14146077, (8R,8aR)-6-amino-8-(2,5-dimethoxyphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, (8R,8aR)-6-amino-8-(2,5-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
| Molecular Formula | C23H25N5O2 |
|---|---|
| Molecular Weight | 403.20 g/mol |
| LogP | 2.83914 |
| Topological Polar Surface Area | 119.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.20084 |
| Heavy Atoms | 30 |
| Complexity | 1007.49976 |
Chemical Identifiers
| CAS Number | 494792-74-4 |
|---|---|
| SMILES | CCCN1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=C(C=CC(=C3)OC)OC |
Product Overview
6-amino-8-(2,5-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile (CAS 494792-74-4), with molecular formula C23H25N5O2 and molecular weight 403.20 g/mol. IUPAC: (8R,8aR)-6-amino-8-(2,5-dimethoxyphenyl)-2-propyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of 6-amino-8-(2,5-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
Property Insights of 6-amino-8-(2,5-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
The XLogP value of 2.83914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-8-(2,5-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile. The TPSA of 119.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-8-(2,5-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile. Following Lipinski's Rule of Five, 6-amino-8-(2,5-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile 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
Frequently Asked Questions
What is the CAS number of 6-amino-8-(2,5-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
The CAS number of 6-amino-8-(2,5-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile is 494792-74-4.
What is the molecular formula of 6-amino-8-(2,5-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
The molecular formula of 6-amino-8-(2,5-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile is C23H25N5O2.
What is the molecular weight of 6-amino-8-(2,5-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
The molecular weight of 6-amino-8-(2,5-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile is 403.20 g/mol.
Where can I buy 6-amino-8-(2,5-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
You can request a quote for 6-amino-8-(2,5-dimethoxyphenyl)-2-propyl-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-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-8-(2,5-dimethoxyphenyl)-2-propyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.