6-amino-2-isopropyl-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
TL;DR: 6-amino-2-isopropyl-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile (CAS 302344-54-3) is a chemical compound with molecular formula C21H21N5 and molecular weight 343.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-8-phenyl-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: 6-amino-2-isopropyl-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 6-amino-8-phenyl-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
| Molecular Formula | C21H21N5 |
|---|---|
| Molecular Weight | 343.18 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.1797 |
| Heavy Atoms | 26 |
| Complexity | 768.0 |
Chemical Identifiers
| CAS Number | 302344-54-3 |
|---|---|
| SMILES | CC(C)N1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=CC=C3 |
| InChIKey | FPTLOLQFVKCXGF-UHFFFAOYSA-N |
Product Overview
6-amino-2-isopropyl-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile (CAS 302344-54-3), with molecular formula C21H21N5 and molecular weight 343.18 g/mol. IUPAC: 6-amino-8-phenyl-2-propan-2-yl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of 6-amino-2-isopropyl-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
Property Insights of 6-amino-2-isopropyl-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-2-isopropyl-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-2-isopropyl-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile. Following Lipinski's Rule of Five, 6-amino-2-isopropyl-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile has 1 hydrogen bond donor(s) and 5 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-isopropyl-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile?
The CAS number of 6-amino-2-isopropyl-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile is 302344-54-3.
What is the molecular formula of 6-amino-2-isopropyl-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile?
The molecular formula of 6-amino-2-isopropyl-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile is C21H21N5.
What is the molecular weight of 6-amino-2-isopropyl-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile?
The molecular weight of 6-amino-2-isopropyl-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile is 343.18 g/mol.
Where can I buy 6-amino-2-isopropyl-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile?
You can request a quote for 6-amino-2-isopropyl-8-phenyl-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-isopropyl-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-2-isopropyl-8-phenyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.