6-amino-2-benzyl-8-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
TL;DR: 6-amino-2-benzyl-8-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile (CAS 327167-69-1) is a chemical compound with molecular formula C23H18N6O2S and molecular weight 442.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-2-benzyl-8-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: 6-amino-2-benzyl-8-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, 6-amino-2-benzyl-8-(5-nitrothiophen-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 6-amino-8-(5-nitro(2-thienyl))-2-benzyl-1,2,3,7,8,8a-hexahydroisoquinoline-5,7 ,7-tricarbonitrile
| Molecular Formula | C23H18N6O2S |
|---|---|
| Molecular Weight | 442.12 g/mol |
| LogP | 3.58184 |
| Topological Polar Surface Area | 143.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 442.1212 |
| Heavy Atoms | 32 |
| Complexity | 1243.8805 |
Chemical Identifiers
| CAS Number | 327167-69-1 |
|---|---|
| SMILES | C1C=C2C(CN1CC3=CC=CC=C3)C(C(C(=C2C#N)N)(C#N)C#N)C4=CC=C(S4)[N+](=O)[O-] |
Product Overview
6-amino-2-benzyl-8-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile (CAS 327167-69-1), with molecular formula C23H18N6O2S and molecular weight 442.12 g/mol. IUPAC: 6-amino-2-benzyl-8-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of 6-amino-2-benzyl-8-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Property Insights of 6-amino-2-benzyl-8-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
The XLogP value of 3.58184 indicates that 6-amino-2-benzyl-8-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.77 Ų indicates high polarity, suggesting 6-amino-2-benzyl-8-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-amino-2-benzyl-8-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile has 1 hydrogen bond donor(s) and 8 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-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile?
The CAS number of 6-amino-2-benzyl-8-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile is 327167-69-1.
What is the molecular formula of 6-amino-2-benzyl-8-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile?
The molecular formula of 6-amino-2-benzyl-8-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile is C23H18N6O2S.
What is the molecular weight of 6-amino-2-benzyl-8-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile?
The molecular weight of 6-amino-2-benzyl-8-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile is 442.12 g/mol.
Where can I buy 6-amino-2-benzyl-8-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile?
You can request a quote for 6-amino-2-benzyl-8-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-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-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-2-benzyl-8-(5-nitrothiophen-2-yl)-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.