6,7-Dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline
TL;DR: 6,7-Dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline (CAS 47281-61-8) is a chemical compound with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline
Also Known As: N-Methylpyrazole, 6,7-Dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline, 6,7-Dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline, BAS 00123863, J2.275.187E
| Molecular Formula | C17H18N2O4 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 76.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.12665 |
| Heavy Atoms | 23 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 47281-61-8 |
|---|---|
| SMILES | COC1=C(C=C2C(NCCC2=C1)C3=CC=C(C=C3)[N+](=O)[O-])OC |
| InChIKey | GITFNMZGMQLGOX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6,7-Dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline (CAS 47281-61-8), with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol. IUPAC: 6,7-dimethoxy-1-(4-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline.
Chemical Property Profile of 6,7-Dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline
Property Insights of 6,7-Dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-Dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline. Following Lipinski's Rule of Five, 6,7-Dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline has 1 hydrogen bond donor(s) and 5 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 6,7-Dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline?
The CAS number of 6,7-Dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline is 47281-61-8.
What is the molecular formula of 6,7-Dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline?
The molecular formula of 6,7-Dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline is C17H18N2O4.
What is the molecular weight of 6,7-Dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline?
The molecular weight of 6,7-Dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline is 314.13 g/mol.
Where can I buy 6,7-Dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline?
You can request a quote for 6,7-Dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dimethoxy-1-(4-nitro-phenyl)-1,2,3,4-tetrahydro-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.