6-amino-2-benzyl-8-(3-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
TL;DR: 6-amino-2-benzyl-8-(3-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile (CAS 313380-00-6) is a chemical compound with molecular formula C26H23N5O and molecular weight 421.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-benzyl-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: 6-amino-2-benzyl-8-(3-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 6-amino-2-benzyl-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, 6-amino-8-(3-methoxyphenyl)-2-benzyl-1,2,3,7,8,8a-hexahydroisoquinoline-5,7,7- tricarbonitrile
| Molecular Formula | C26H23N5O |
|---|---|
| Molecular Weight | 421.19 g/mol |
| LogP | 3.62074 |
| Topological Polar Surface Area | 109.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.19025 |
| Heavy Atoms | 32 |
| Complexity | 1195.2588 |
Chemical Identifiers
| CAS Number | 313380-00-6 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)CC4=CC=CC=C4 |
Product Overview
6-amino-2-benzyl-8-(3-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile (CAS 313380-00-6), with molecular formula C26H23N5O and molecular weight 421.19 g/mol. IUPAC: 6-amino-2-benzyl-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of 6-amino-2-benzyl-8-(3-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Property Insights of 6-amino-2-benzyl-8-(3-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
The XLogP value of 3.62074 indicates that 6-amino-2-benzyl-8-(3-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-2-benzyl-8-(3-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile. Following Lipinski's Rule of Five, 6-amino-2-benzyl-8-(3-methoxyphenyl)-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-benzyl-8-(3-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile?
The CAS number of 6-amino-2-benzyl-8-(3-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile is 313380-00-6.
What is the molecular formula of 6-amino-2-benzyl-8-(3-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile?
The molecular formula of 6-amino-2-benzyl-8-(3-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile is C26H23N5O.
What is the molecular weight of 6-amino-2-benzyl-8-(3-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile?
The molecular weight of 6-amino-2-benzyl-8-(3-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile is 421.19 g/mol.
Where can I buy 6-amino-2-benzyl-8-(3-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile?
You can request a quote for 6-amino-2-benzyl-8-(3-methoxyphenyl)-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-benzyl-8-(3-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-2-benzyl-8-(3-methoxyphenyl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.