1-(3-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline
TL;DR: 1-(3-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline (CAS 63938-01-2) is a chemical compound with molecular formula C18H24N2O2 and molecular weight 300.18378 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-1-[2-(3-nitrophenyl)ethyl]-3,4,5,6,7,8-hexahydro-1H-isoquinoline
Also Known As: 5-20-07-00535 (Beilstein Handbook Reference), 1-(3-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline, 2-methyl-1-1,2,3,4,5,6,7,8-octahydroisoquinoline, 2-Methyl-1- -1,2,3,4,5,6,7,8-octahydroisoquinoline, Isoquinoline, 2-methyl-1-(3-nitrophenethyl)-1,2,3,4,5,6,7,8-octahydro-
Technical Specifications
| Molecular Formula | C18H24N2O2 |
| Molecular Weight | 300.18378 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 49.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.18378 Da |
| Heavy Atoms | 22 |
| Complexity | 441.0 |
| SMILES | CN1CCC2=C(C1CCC3=CC(=CC=C3)[N+](=O)[O-])CCCC2 |
| InChIKey | XQUJIUXPLNHJMQ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline
Property Insights of 1-(3-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline
The XLogP value of 3.6 indicates that 1-(3-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.1 Ų, 1-(3-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(3-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline?
The CAS number of 1-(3-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline is 63938-01-2.
What is the molecular formula of 1-(3-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline?
The molecular formula of 1-(3-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline is C18H24N2O2.
What is the molecular weight of 1-(3-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline?
The molecular weight of 1-(3-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline is 300.18378 g/mol.
Where can I buy 1-(3-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline?
You can request a quote for 1-(3-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline?
Yes, CoreyChem provides custom synthesis services for 1-(3-Nitrophenethyl)-2-methyl-1,2,3,4,5,6,7,8-octahydroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.