1-(3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE
TL;DR: 1-(3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE (CAS 501649-84-9) is a chemical compound with molecular formula C21H18Cl2N2O3 and molecular weight 416.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,6-dichlorophenyl)-4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-5-methyl-1,2-oxazole
Also Known As: 1-(3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE, 3-(2,6-dichlorophenyl)-4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-5-methyl-1,2-oxazole, 1-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-6,7-dimethoxy-3,4-dihydroisoquinoline, 3-(2,6-dichlorophenyl)-4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-5-methyl-isoxazole, 1-[3-(2,6-Dichlorophenyl)-5-methylisoxazol-4-yl]-6,7-dimethoxy-3,4-dihydroisoquinoline
| Molecular Formula | C21H18Cl2N2O3 |
|---|---|
| Molecular Weight | 416.07 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 56.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 416.06946 |
| Heavy Atoms | 28 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 501649-84-9 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C3=NCCC4=CC(=C(C=C43)OC)OC |
| InChIKey | OPCNQKDDOWBSAV-UHFFFAOYSA-N |
Product Overview
1-(3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE (CAS 501649-84-9), with molecular formula C21H18Cl2N2O3 and molecular weight 416.07 g/mol. IUPAC: 3-(2,6-dichlorophenyl)-4-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-5-methyl-1,2-oxazole.
Chemical Property Profile of 1-(3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE
Property Insights of 1-(3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE
The XLogP value of 5.0 indicates that 1-(3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.9 Ų, 1-(3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE 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 1-(3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE?
The CAS number of 1-(3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE is 501649-84-9.
What is the molecular formula of 1-(3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE?
The molecular formula of 1-(3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE is C21H18Cl2N2O3.
What is the molecular weight of 1-(3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE?
The molecular weight of 1-(3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE is 416.07 g/mol.
Where can I buy 1-(3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE?
You can request a quote for 1-(3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-(2,6-DICHLOROPHENYL)-5-METHYLISOXAZOL-4-YL)-6,7-DIMETHOXY-3,4-DIHYDROISOQUINOLINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.