6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide
TL;DR: 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide (CAS 302589-60-2) is a chemical compound with molecular formula C20H18N6O2 and molecular weight 374.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide
Also Known As: 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide, 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,7,8,8a-tetrahydroisoquinoline-2(3H)-carboxamide, 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-3,7,8,8a-tetrahydroisoquinoline-2(1H)-carboxamide
| Molecular Formula | C20H18N6O2 |
|---|---|
| Molecular Weight | 374.15 g/mol |
| LogP | 1.49924 |
| Topological Polar Surface Area | 152.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.1491 |
| Heavy Atoms | 28 |
| Complexity | 1006.3571 |
Chemical Identifiers
| CAS Number | 302589-60-2 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2C3CN(CC=C3C(=C(C2(C#N)C#N)N)C#N)C(=O)N |
Product Overview
6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide (CAS 302589-60-2), with molecular formula C20H18N6O2 and molecular weight 374.15 g/mol. IUPAC: 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide.
Chemical Property Profile of 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide
Property Insights of 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide
The XLogP value of 1.49924 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide. The TPSA of 152.95 Ų indicates high polarity, suggesting 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide has 2 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-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide?
The CAS number of 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide is 302589-60-2.
What is the molecular formula of 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide?
The molecular formula of 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide is C20H18N6O2.
What is the molecular weight of 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide?
The molecular weight of 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide is 374.15 g/mol.
Where can I buy 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide?
You can request a quote for 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 6-amino-5,7,7-tricyano-8-(3-methoxyphenyl)-1,3,8,8a-tetrahydroisoquinoline-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.