(S)-3-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile
TL;DR: (S)-3-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile (CAS 77784-97-5) is a chemical compound with molecular formula C15H20N2O2 and molecular weight 260.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]propanenitrile
Also Known As: BAS 02787428, (S)-3-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile, 3-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]propanenitrile, 3-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl]propanenitrile
| Molecular Formula | C15H20N2O2 |
|---|---|
| Molecular Weight | 260.15 g/mol |
| LogP | 2.53658 |
| Topological Polar Surface Area | 45.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.15247 |
| Heavy Atoms | 19 |
| Complexity | 493.65433 |
Chemical Identifiers
| CAS Number | 77784-97-5 |
|---|---|
| SMILES | C[C@H]1C2=CC(=C(C=C2CCN1CCC#N)OC)OC |
Product Overview
(S)-3-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile (CAS 77784-97-5), with molecular formula C15H20N2O2 and molecular weight 260.15 g/mol. IUPAC: 3-[(1S)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl]propanenitrile.
Chemical Property Profile of (S)-3-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile
Property Insights of (S)-3-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile
The XLogP value of 2.53658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-3-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile. With a topological polar surface area (TPSA) of 45.49 Ų, (S)-3-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-3-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile has 0 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 (S)-3-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile?
The CAS number of (S)-3-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile is 77784-97-5.
What is the molecular formula of (S)-3-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile?
The molecular formula of (S)-3-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile is C15H20N2O2.
What is the molecular weight of (S)-3-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile?
The molecular weight of (S)-3-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile is 260.15 g/mol.
Where can I buy (S)-3-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile?
You can request a quote for (S)-3-(6,7-dimethoxy-1-methyl-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 (S)-3-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for (S)-3-(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.