3-((2-Aminoethyl)amino)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 3-((2-Aminoethyl)amino)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 905015-16-9) is a chemical compound with molecular formula C16H24N4 and molecular weight 272.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-aminoethylamino)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-(2-aminoethylamino)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-((2-aminoethyl)amino)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-[(2-aminoethyl)amino]-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C16H24N4 |
|---|---|
| Molecular Weight | 272.20 g/mol |
| LogP | 2.54528 |
| Topological Polar Surface Area | 74.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 272.2001 |
| Heavy Atoms | 20 |
| Complexity | 502.17883 |
Chemical Identifiers
| CAS Number | 905015-16-9 |
|---|---|
| SMILES | CCCCC1=NC(=C(C2=C1CCCC2)C#N)NCCN |
Product Overview
3-((2-Aminoethyl)amino)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 905015-16-9), with molecular formula C16H24N4 and molecular weight 272.20 g/mol. IUPAC: 3-(2-aminoethylamino)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-((2-Aminoethyl)amino)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 3-((2-Aminoethyl)amino)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 2.54528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2-Aminoethyl)amino)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile. The TPSA of 74.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2-Aminoethyl)amino)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile. Following Lipinski's Rule of Five, 3-((2-Aminoethyl)amino)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has 2 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-((2-Aminoethyl)amino)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 3-((2-Aminoethyl)amino)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 905015-16-9.
What is the molecular formula of 3-((2-Aminoethyl)amino)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 3-((2-Aminoethyl)amino)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C16H24N4.
What is the molecular weight of 3-((2-Aminoethyl)amino)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 3-((2-Aminoethyl)amino)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 272.20 g/mol.
Where can I buy 3-((2-Aminoethyl)amino)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 3-((2-Aminoethyl)amino)-1-butyl-5,6,7,8-tetrahydroisoquinoline-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-((2-Aminoethyl)amino)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-Aminoethyl)amino)-1-butyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.