6-amino-8-(4-butoxy-3-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
TL;DR: 6-amino-8-(4-butoxy-3-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile (CAS 445222-42-4) is a chemical compound with molecular formula C24H27N5O2 and molecular weight 417.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-8-(4-butoxy-3-methoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: 6-amino-8-(4-butoxy-3-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile, 6-amino-8-(4-butoxy-3-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 6-amino-8-(4-butoxy-3-methoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
| Molecular Formula | C24H27N5O2 |
|---|---|
| Molecular Weight | 417.22 g/mol |
| LogP | 3.22924 |
| Topological Polar Surface Area | 119.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.21646 |
| Heavy Atoms | 31 |
| Complexity | 1023.5201 |
Chemical Identifiers
| CAS Number | 445222-42-4 |
|---|---|
| SMILES | CCCCOC1=C(C=C(C=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C)OC |
Product Overview
6-amino-8-(4-butoxy-3-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile (CAS 445222-42-4), with molecular formula C24H27N5O2 and molecular weight 417.22 g/mol. IUPAC: 6-amino-8-(4-butoxy-3-methoxyphenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of 6-amino-8-(4-butoxy-3-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
Property Insights of 6-amino-8-(4-butoxy-3-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
The XLogP value of 3.22924 indicates that 6-amino-8-(4-butoxy-3-methoxyphenyl)-2-methyl-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 119.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-8-(4-butoxy-3-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile. Following Lipinski's Rule of Five, 6-amino-8-(4-butoxy-3-methoxyphenyl)-2-methyl-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-(4-butoxy-3-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
The CAS number of 6-amino-8-(4-butoxy-3-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile is 445222-42-4.
What is the molecular formula of 6-amino-8-(4-butoxy-3-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
The molecular formula of 6-amino-8-(4-butoxy-3-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile is C24H27N5O2.
What is the molecular weight of 6-amino-8-(4-butoxy-3-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
The molecular weight of 6-amino-8-(4-butoxy-3-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile is 417.22 g/mol.
Where can I buy 6-amino-8-(4-butoxy-3-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
You can request a quote for 6-amino-8-(4-butoxy-3-methoxyphenyl)-2-methyl-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-(4-butoxy-3-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-8-(4-butoxy-3-methoxyphenyl)-2-methyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.