1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(3-nitrophenyl)isoquinoline
TL;DR: 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(3-nitrophenyl)isoquinoline (CAS 96315-85-4) 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-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline
Also Known As: 6,7-dimethoxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline, J2.276.185D, 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(3-nitrophenyl)isoquinoline, A2318/0097756, 1-(3-Nitrophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C17H18N2O4 |
|---|---|
| Molecular Weight | 314.13 g/mol |
| LogP | 2.8471 |
| Topological Polar Surface Area | 73.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.12665 |
| Heavy Atoms | 23 |
| Complexity | 745.3684 |
Chemical Identifiers
| CAS Number | 96315-85-4 |
|---|---|
| SMILES | COC1=C(C=C2C(NCCC2=C1)C3=CC(=CC=C3)[N+](=O)[O-])OC |
Product Overview
1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(3-nitrophenyl)isoquinoline (CAS 96315-85-4), with molecular formula C17H18N2O4 and molecular weight 314.13 g/mol. IUPAC: 6,7-dimethoxy-1-(3-nitrophenyl)-1,2,3,4-tetrahydroisoquinoline.
Chemical Property Profile of 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(3-nitrophenyl)isoquinoline
Property Insights of 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(3-nitrophenyl)isoquinoline
The XLogP value of 2.8471 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(3-nitrophenyl)isoquinoline. The TPSA of 73.63 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(3-nitrophenyl)isoquinoline. Following Lipinski's Rule of Five, 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(3-nitrophenyl)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 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(3-nitrophenyl)isoquinoline?
The CAS number of 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(3-nitrophenyl)isoquinoline is 96315-85-4.
What is the molecular formula of 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(3-nitrophenyl)isoquinoline?
The molecular formula of 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(3-nitrophenyl)isoquinoline is C17H18N2O4.
What is the molecular weight of 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(3-nitrophenyl)isoquinoline?
The molecular weight of 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(3-nitrophenyl)isoquinoline is 314.13 g/mol.
Where can I buy 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(3-nitrophenyl)isoquinoline?
You can request a quote for 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(3-nitrophenyl)isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(3-nitrophenyl)isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,4-Tetrahydro-6,7-dimethoxy-1-(3-nitrophenyl)isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.