6-amino-8-(3-furyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
TL;DR: 6-amino-8-(3-furyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile (CAS 459155-01-2) is a chemical compound with molecular formula C19H19N5O and molecular weight 333.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8R,8aR)-6-amino-8-(furan-3-yl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: 6-amino-8-(3-furyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile, AM-807/13104338, (8R,8aR)-6-amino-8-(furan-3-yl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, (8R,8aR)-6-amino-8-(furan-3-yl)-2-(propan-2-yl)-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, (8R,8aR)-6-amino-8-(furan-3-yl)-2-isopropyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
| Molecular Formula | C19H19N5O |
|---|---|
| Molecular Weight | 333.16 g/mol |
| LogP | 2.41334 |
| Topological Polar Surface Area | 113.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 333.15897 |
| Heavy Atoms | 25 |
| Complexity | 843.10626 |
Chemical Identifiers
| CAS Number | 459155-01-2 |
|---|---|
| SMILES | CC(C)N1CC=C2[C@H](C1)[C@H](C(C(=C2C#N)N)(C#N)C#N)C3=COC=C3 |
Product Overview
6-amino-8-(3-furyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile (CAS 459155-01-2), with molecular formula C19H19N5O and molecular weight 333.16 g/mol. IUPAC: (8R,8aR)-6-amino-8-(furan-3-yl)-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of 6-amino-8-(3-furyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
Property Insights of 6-amino-8-(3-furyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile
The XLogP value of 2.41334 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-8-(3-furyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile. The TPSA of 113.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-8-(3-furyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile. Following Lipinski's Rule of Five, 6-amino-8-(3-furyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile 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-8-(3-furyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
The CAS number of 6-amino-8-(3-furyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile is 459155-01-2.
What is the molecular formula of 6-amino-8-(3-furyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
The molecular formula of 6-amino-8-(3-furyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile is C19H19N5O.
What is the molecular weight of 6-amino-8-(3-furyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
The molecular weight of 6-amino-8-(3-furyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile is 333.16 g/mol.
Where can I buy 6-amino-8-(3-furyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
You can request a quote for 6-amino-8-(3-furyl)-2-isopropyl-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-(3-furyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-8-(3-furyl)-2-isopropyl-2,3,8,8a-tetrahydro-5,7,7(1H)-isoquinolinetricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.