1-Butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 1-Butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 371203-04-2) is a chemical compound with molecular formula C16H23N3O and molecular weight 273.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 1-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-butyl-3-[(2-hydroxyethyl)amino]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-butyl-3-((2-hydroxyethyl)amino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-butyl-3-[(2-hydroxyethyl)amino]-5,6,7,8-tetrahydro-4-isoquinolinecarbonitrile, REGID_for_CID_2914707
| Molecular Formula | C16H23N3O |
|---|---|
| Molecular Weight | 273.18 g/mol |
| LogP | 2.57888 |
| Topological Polar Surface Area | 68.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.1841 |
| Heavy Atoms | 20 |
| Complexity | 505.42395 |
Chemical Identifiers
| CAS Number | 371203-04-2 |
|---|---|
| SMILES | CCCCC1=NC(=C(C2=C1CCCC2)C#N)NCCO |
Product Overview
1-Butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 371203-04-2), with molecular formula C16H23N3O and molecular weight 273.18 g/mol. IUPAC: 1-butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 1-Butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 1-Butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 2.57888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile. The TPSA of 68.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile. Following Lipinski's Rule of Five, 1-Butyl-3-(2-hydroxyethylamino)-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 1-Butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 1-Butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 371203-04-2.
What is the molecular formula of 1-Butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 1-Butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C16H23N3O.
What is the molecular weight of 1-Butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 1-Butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 273.18 g/mol.
Where can I buy 1-Butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 1-Butyl-3-(2-hydroxyethylamino)-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 1-Butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-3-(2-hydroxyethylamino)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.