3-amino-2-(2-methoxyphenyl)-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
TL;DR: 3-amino-2-(2-methoxyphenyl)-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile (CAS 903585-57-9) is a chemical compound with molecular formula C17H17N3O2 and molecular weight 295.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2-(2-methoxyphenyl)-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-amino-2-(2-methoxyphenyl)-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile, 3-amino-2-(2-methoxyphenyl)-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C17H17N3O2 |
|---|---|
| Molecular Weight | 295.13 g/mol |
| LogP | 2.17878 |
| Topological Polar Surface Area | 81.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.13208 |
| Heavy Atoms | 22 |
| Complexity | 831.01843 |
Chemical Identifiers
| CAS Number | 903585-57-9 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=C(C3=C(C2=O)CCCC3)C#N)N |
Product Overview
3-amino-2-(2-methoxyphenyl)-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile (CAS 903585-57-9), with molecular formula C17H17N3O2 and molecular weight 295.13 g/mol. IUPAC: 3-amino-2-(2-methoxyphenyl)-1-oxo-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-amino-2-(2-methoxyphenyl)-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Property Insights of 3-amino-2-(2-methoxyphenyl)-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
The XLogP value of 2.17878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-amino-2-(2-methoxyphenyl)-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile. The TPSA of 81.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-amino-2-(2-methoxyphenyl)-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile. Following Lipinski's Rule of Five, 3-amino-2-(2-methoxyphenyl)-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile has 1 hydrogen bond donor(s) and 4 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 3-amino-2-(2-methoxyphenyl)-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile?
The CAS number of 3-amino-2-(2-methoxyphenyl)-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile is 903585-57-9.
What is the molecular formula of 3-amino-2-(2-methoxyphenyl)-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile?
The molecular formula of 3-amino-2-(2-methoxyphenyl)-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile is C17H17N3O2.
What is the molecular weight of 3-amino-2-(2-methoxyphenyl)-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile?
The molecular weight of 3-amino-2-(2-methoxyphenyl)-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile is 295.13 g/mol.
Where can I buy 3-amino-2-(2-methoxyphenyl)-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile?
You can request a quote for 3-amino-2-(2-methoxyphenyl)-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-amino-2-(2-methoxyphenyl)-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-amino-2-(2-methoxyphenyl)-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.