(5-chloro-2-nitrophenyl)(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
TL;DR: (5-chloro-2-nitrophenyl)(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone (CAS 486426-49-7) is a chemical compound with molecular formula C25H22ClFN2O6 and molecular weight 500.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-2-nitrophenyl)-[1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone
Also Known As: (5-chloro-2-nitrophenyl)(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone, F0535-0059, (5-chloro-2-nitrophenyl)-[1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone, 2-(5-chloro-2-nitrobenzoyl)-1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
| Molecular Formula | C25H22ClFN2O6 |
|---|---|
| Molecular Weight | 500.12 g/mol |
| LogP | 5.2231 |
| Topological Polar Surface Area | 91.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 500.11505 |
| Heavy Atoms | 35 |
| Complexity | 1267.557 |
Chemical Identifiers
| CAS Number | 486426-49-7 |
|---|---|
| SMILES | COC1=C(C=C2C(N(CCC2=C1)C(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-])COC4=CC=C(C=C4)F)OC |
Product Overview
(5-chloro-2-nitrophenyl)(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone (CAS 486426-49-7), with molecular formula C25H22ClFN2O6 and molecular weight 500.12 g/mol. IUPAC: (5-chloro-2-nitrophenyl)-[1-[(4-fluorophenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]methanone.
Chemical Property Profile of (5-chloro-2-nitrophenyl)(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
Property Insights of (5-chloro-2-nitrophenyl)(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone
The XLogP value of 5.2231 indicates that (5-chloro-2-nitrophenyl)(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.14 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-chloro-2-nitrophenyl)(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone. Following Lipinski's Rule of Five, (5-chloro-2-nitrophenyl)(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5-chloro-2-nitrophenyl)(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The CAS number of (5-chloro-2-nitrophenyl)(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone is 486426-49-7.
What is the molecular formula of (5-chloro-2-nitrophenyl)(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The molecular formula of (5-chloro-2-nitrophenyl)(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone is C25H22ClFN2O6.
What is the molecular weight of (5-chloro-2-nitrophenyl)(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
The molecular weight of (5-chloro-2-nitrophenyl)(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone is 500.12 g/mol.
Where can I buy (5-chloro-2-nitrophenyl)(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
You can request a quote for (5-chloro-2-nitrophenyl)(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-chloro-2-nitrophenyl)(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (5-chloro-2-nitrophenyl)(1-((4-fluorophenoxy)methyl)-6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.