RefChem:1087731
TL;DR: RefChem:1087731 (CAS 63937-39-3) is a chemical compound with molecular formula C19H20N2O4 and molecular weight 340.1423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-methyl-5-[2-(4-nitrophenyl)ethyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Also Known As: NIOSH/JI4883000, Isoquinoline, 1,2,3,4-tetrahydro-2-methyl-6,7-methylenedioxy-1-(4-nitrophenethyl)-, 1-(4-Nitrophenethyl)-2-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydro-, Isoquinoline, 2-methyl-6,7-methylenedioxy-1-(4-nitrophenethyl)-1,2,3,4-tetrahydro-, (+-)-1-(4'-Nitrophenaethyl)-2-methyl-6,7-methylendioxy-1,2,3,4-tetrahydro-isochinolin
Technical Specifications
| Molecular Formula | C19H20N2O4 |
| Molecular Weight | 340.1423 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 67.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.1423 Da |
| Heavy Atoms | 25 |
| Complexity | 475.0 |
| SMILES | CN1CCC2=CC3=C(C=C2C1CCC4=CC=C(C=C4)[N+](=O)[O-])OCO3 |
| InChIKey | MZFGOOZAYYXRBX-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1087731
Property Insights of RefChem:1087731
The XLogP value of 3.8 indicates that RefChem:1087731 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1087731. Following Lipinski's Rule of Five, RefChem:1087731 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1087731?
The CAS number of RefChem:1087731 is 63937-39-3.
What is the molecular formula of RefChem:1087731?
The molecular formula of RefChem:1087731 is C19H20N2O4.
What is the molecular weight of RefChem:1087731?
The molecular weight of RefChem:1087731 is 340.1423 g/mol.
Where can I buy RefChem:1087731?
You can request a quote for RefChem:1087731 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1087731?
Yes, CoreyChem provides custom synthesis services for RefChem:1087731 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.