3-(3-Methyl-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile
TL;DR: 3-(3-Methyl-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile (CAS 41958-63-8) is a chemical compound with molecular formula C19H20N2 and molecular weight 276.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3S)-3-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propanenitrile
Also Known As: trans-3-Methyl-4-phenyl-3,4-dihydro-2(1H)-isoquinolinepropionitrile, 2(1H)-ISOQUINOLINEPROPIONITRILE, 3,4-DIHYDRO-3-METHYL-4-PHENYL-, (E)-, 3-(3-Methyl-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile, 2(1H)-Isoquinolinepropanenitrile, 3,4-dihydro-3-methyl-4-phenyl-, trans-, 3-[(3S)-3-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propanenitrile
| Molecular Formula | C19H20N2 |
|---|---|
| Molecular Weight | 276.16 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 27.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.16266 |
| Heavy Atoms | 21 |
| Complexity | 376.0 |
Chemical Identifiers
| CAS Number | 41958-63-8 |
|---|---|
| SMILES | C[C@H]1C(C2=CC=CC=C2CN1CCC#N)C3=CC=CC=C3 |
| InChIKey | CFRWPPYCQRSFFW-FUKCDUGKSA-N |
Product Overview
3-(3-Methyl-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile (CAS 41958-63-8), with molecular formula C19H20N2 and molecular weight 276.16 g/mol. IUPAC: 3-[(3S)-3-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]propanenitrile.
Chemical Property Profile of 3-(3-Methyl-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile
Property Insights of 3-(3-Methyl-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile
The XLogP value of 3.4 indicates that 3-(3-Methyl-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.0 Ų, 3-(3-Methyl-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-Methyl-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile has 0 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-(3-Methyl-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile?
The CAS number of 3-(3-Methyl-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile is 41958-63-8.
What is the molecular formula of 3-(3-Methyl-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile?
The molecular formula of 3-(3-Methyl-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile is C19H20N2.
What is the molecular weight of 3-(3-Methyl-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile?
The molecular weight of 3-(3-Methyl-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile is 276.16 g/mol.
Where can I buy 3-(3-Methyl-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile?
You can request a quote for 3-(3-Methyl-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-Methyl-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Methyl-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.