3-Hydroxy-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 3-Hydroxy-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 117960-35-7) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-1-propyl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
Also Known As: 3-hydroxy-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 2,3,5,6,7,8-Hexahydro-3-oxo-1-propyl-4-isoquinolinecarbonitrile, 3-Hydroxy-1-propyl-5,6,7,8-tetrahydro-isoquinoline-4-carbonitrile, 3-oxo-1-propyl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 2.07788 |
| Topological Polar Surface Area | 56.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 493.87967 |
Chemical Identifiers
| CAS Number | 117960-35-7 |
|---|---|
| SMILES | CCCC1=C2CCCCC2=C(C(=O)N1)C#N |
Product Overview
3-Hydroxy-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 117960-35-7), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 3-oxo-1-propyl-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile.
Chemical Property Profile of 3-Hydroxy-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 3-Hydroxy-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 2.07788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile. With a topological polar surface area (TPSA) of 56.65 Ų, 3-Hydroxy-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile has 1 hydrogen bond donor(s) and 2 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-Hydroxy-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 3-Hydroxy-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 117960-35-7.
What is the molecular formula of 3-Hydroxy-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 3-Hydroxy-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C13H16N2O.
What is the molecular weight of 3-Hydroxy-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 3-Hydroxy-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 216.13 g/mol.
Where can I buy 3-Hydroxy-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 3-Hydroxy-1-propyl-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-Hydroxy-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-1-propyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.