6-amino-8-(4-chlorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
TL;DR: 6-amino-8-(4-chlorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile (CAS 83049-51-8) is a chemical compound with molecular formula C19H16ClN5 and molecular weight 349.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-8-(4-chlorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Also Known As: 6-amino-8-(4-chlorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile, 6-amino-8-(4-chlorophenyl)-2-methyl-2,3,8,8a-tetrahydroisoquinoline-5,7,7(1H)-tricarbonitrile, 6-amino-8-(4-chlorophenyl)-2-methyl-1,2,3,7,8,8a-hexahydroisoquinoline-5,7,7-t ricarbonitrile, 6-amino-8-(4-chlorophenyl)-2-methyl-2,3,8,8a-tetrahydro-1h-isoquinoline-5,7,7-tricarbonitrile
| Molecular Formula | C19H16ClN5 |
|---|---|
| Molecular Weight | 349.11 g/mol |
| LogP | 2.69514 |
| Topological Polar Surface Area | 100.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 349.10944 |
| Heavy Atoms | 25 |
| Complexity | 877.7178 |
Chemical Identifiers
| CAS Number | 83049-51-8 |
|---|---|
| SMILES | CN1CC=C2C(C1)C(C(C(=C2C#N)N)(C#N)C#N)C3=CC=C(C=C3)Cl |
Product Overview
6-amino-8-(4-chlorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile (CAS 83049-51-8), with molecular formula C19H16ClN5 and molecular weight 349.11 g/mol. IUPAC: 6-amino-8-(4-chlorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile.
Chemical Property Profile of 6-amino-8-(4-chlorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
Property Insights of 6-amino-8-(4-chlorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile
The XLogP value of 2.69514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-8-(4-chlorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile. The TPSA of 100.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-8-(4-chlorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile. Following Lipinski's Rule of Five, 6-amino-8-(4-chlorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-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-8-(4-chlorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile?
The CAS number of 6-amino-8-(4-chlorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile is 83049-51-8.
What is the molecular formula of 6-amino-8-(4-chlorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile?
The molecular formula of 6-amino-8-(4-chlorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile is C19H16ClN5.
What is the molecular weight of 6-amino-8-(4-chlorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile?
The molecular weight of 6-amino-8-(4-chlorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile is 349.11 g/mol.
Where can I buy 6-amino-8-(4-chlorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile?
You can request a quote for 6-amino-8-(4-chlorophenyl)-2-methyl-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-8-(4-chlorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-8-(4-chlorophenyl)-2-methyl-1,3,8,8a-tetrahydroisoquinoline-5,7,7-tricarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.