![1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea structure](/static/products/1024/1024431-81-9.webp)
1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea
TL;DR: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea (CAS 1024431-81-9) is a chemical compound with molecular formula C26H24F3N3O4 and molecular weight 499.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea
Also Known As: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea, 1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)-3-(2-(TRIFLUOROMETHOXY)PHENYL)UREA, 1-{4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl}-3-[2-(trifluoromethoxy)phenyl]urea
| Molecular Formula | C26H24F3N3O4 |
|---|---|
| Molecular Weight | 499.17 g/mol |
| LogP | 5.8343 |
| Topological Polar Surface Area | 81.18 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 499.1719 |
| Heavy Atoms | 36 |
| Complexity | 1274.4163 |
Chemical Identifiers
| CAS Number | 1024431-81-9 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCN=C2CC3=CC=C(C=C3)NC(=O)NC4=CC=CC=C4OC(F)(F)F)OC |
Product Overview
1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea (CAS 1024431-81-9), with molecular formula C26H24F3N3O4 and molecular weight 499.17 g/mol. IUPAC: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea.
Chemical Property Profile of 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea
Property Insights of 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea
The XLogP value of 5.8343 indicates that 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea. Following Lipinski's Rule of Five, 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The CAS number of 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea is 1024431-81-9.
What is the molecular formula of 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The molecular formula of 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea is C26H24F3N3O4.
What is the molecular weight of 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea?
The molecular weight of 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea is 499.17 g/mol.
Where can I buy 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea?
You can request a quote for 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-[2-(trifluoromethoxy)phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.