2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
TL;DR: 2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline (CAS 879445-23-5) is a chemical compound with molecular formula C17H17FN2O4 and molecular weight 332.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
Also Known As: 2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline, 2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C17H17FN2O4 |
|---|---|
| Molecular Weight | 332.12 g/mol |
| LogP | 3.3138 |
| Topological Polar Surface Area | 64.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.11725 |
| Heavy Atoms | 24 |
| Complexity | 794.40027 |
Chemical Identifiers
| CAS Number | 879445-23-5 |
|---|---|
| SMILES | COC1=C(C=C2CN(CCC2=C1)C3=C(C=C(C=C3)F)[N+](=O)[O-])OC |
Product Overview
2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline (CAS 879445-23-5), with molecular formula C17H17FN2O4 and molecular weight 332.12 g/mol. IUPAC: 2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline.
Chemical Property Profile of 2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
Property Insights of 2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
The XLogP value of 3.3138 indicates that 2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline. Following Lipinski's Rule of Five, 2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline 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
Frequently Asked Questions
What is the CAS number of 2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The CAS number of 2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline is 879445-23-5.
What is the molecular formula of 2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The molecular formula of 2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline is C17H17FN2O4.
What is the molecular weight of 2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
The molecular weight of 2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline is 332.12 g/mol.
Where can I buy 2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
You can request a quote for 2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-fluoro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.