(4aS,5R)-7-amino-2-(propan-2-yl)-5-(pyridin-3-yl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8(2H)-tricarbonitrile
TL;DR: (4aS,5R)-7-amino-2-(propan-2-yl)-5-(pyridin-3-yl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8(2H)-tricarbonitrile (CAS 302777-08-8) is a chemical compound with molecular formula C20H20N6 and molecular weight 344.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aS,5R)-7-amino-2-propan-2-yl-5-pyridin-3-yl-3,4,4a,5-tetrahydroisoquinoline-6,6,8-tricarbonitrile
Also Known As: (4aS,5R)-7-amino-2-(propan-2-yl)-5-(pyridin-3-yl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8(2H)-tricarbonitrile, (4aS,5R)-7-amino-2-isopropyl-5-(pyridin-3-yl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8(2H)-tricarbonitrile, (4aS,5R)-7-amino-2-propan-2-yl-5-pyridin-3-yl-3,4,4a,5-tetrahydroisoquinoline-6,6,8-tricarbonitrile
| Molecular Formula | C20H20N6 |
|---|---|
| Molecular Weight | 344.17 g/mol |
| LogP | 2.56294 |
| Topological Polar Surface Area | 113.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.17496 |
| Heavy Atoms | 26 |
| Complexity | 876.9596 |
Chemical Identifiers
| CAS Number | 302777-08-8 |
|---|---|
| SMILES | CC(C)N1CC[C@H]2[C@@H](C(C(=C(C2=C1)C#N)N)(C#N)C#N)C3=CN=CC=C3 |
Product Overview
(4aS,5R)-7-amino-2-(propan-2-yl)-5-(pyridin-3-yl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8(2H)-tricarbonitrile (CAS 302777-08-8), with molecular formula C20H20N6 and molecular weight 344.17 g/mol. IUPAC: (4aS,5R)-7-amino-2-propan-2-yl-5-pyridin-3-yl-3,4,4a,5-tetrahydroisoquinoline-6,6,8-tricarbonitrile.
Chemical Property Profile of (4aS,5R)-7-amino-2-(propan-2-yl)-5-(pyridin-3-yl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8(2H)-tricarbonitrile
Property Insights of (4aS,5R)-7-amino-2-(propan-2-yl)-5-(pyridin-3-yl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8(2H)-tricarbonitrile
The XLogP value of 2.56294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4aS,5R)-7-amino-2-(propan-2-yl)-5-(pyridin-3-yl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8(2H)-tricarbonitrile. The TPSA of 113.52 Ų falls within the moderate polarity range, balancing permeability and solubility for (4aS,5R)-7-amino-2-(propan-2-yl)-5-(pyridin-3-yl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8(2H)-tricarbonitrile. Following Lipinski's Rule of Five, (4aS,5R)-7-amino-2-(propan-2-yl)-5-(pyridin-3-yl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8(2H)-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 (4aS,5R)-7-amino-2-(propan-2-yl)-5-(pyridin-3-yl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8(2H)-tricarbonitrile?
The CAS number of (4aS,5R)-7-amino-2-(propan-2-yl)-5-(pyridin-3-yl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8(2H)-tricarbonitrile is 302777-08-8.
What is the molecular formula of (4aS,5R)-7-amino-2-(propan-2-yl)-5-(pyridin-3-yl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8(2H)-tricarbonitrile?
The molecular formula of (4aS,5R)-7-amino-2-(propan-2-yl)-5-(pyridin-3-yl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8(2H)-tricarbonitrile is C20H20N6.
What is the molecular weight of (4aS,5R)-7-amino-2-(propan-2-yl)-5-(pyridin-3-yl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8(2H)-tricarbonitrile?
The molecular weight of (4aS,5R)-7-amino-2-(propan-2-yl)-5-(pyridin-3-yl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8(2H)-tricarbonitrile is 344.17 g/mol.
Where can I buy (4aS,5R)-7-amino-2-(propan-2-yl)-5-(pyridin-3-yl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8(2H)-tricarbonitrile?
You can request a quote for (4aS,5R)-7-amino-2-(propan-2-yl)-5-(pyridin-3-yl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8(2H)-tricarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4aS,5R)-7-amino-2-(propan-2-yl)-5-(pyridin-3-yl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8(2H)-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4aS,5R)-7-amino-2-(propan-2-yl)-5-(pyridin-3-yl)-3,4,4a,5-tetrahydroisoquinoline-6,6,8(2H)-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.