3-(4-ACETYLPHENYL)-1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)UREA
TL;DR: 3-(4-ACETYLPHENYL)-1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)UREA (CAS 1022739-55-4) is a chemical compound with molecular formula C27H27N3O4 and molecular weight 457.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-acetylphenyl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea
Also Known As: 3-(4-ACETYLPHENYL)-1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)UREA, 1-(4-acetylphenyl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea, 3-(4-acetylphenyl)-1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea, 3-(4-acetylphenyl)-1-{4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl}urea
| Molecular Formula | C27H27N3O4 |
|---|---|
| Molecular Weight | 457.20 g/mol |
| LogP | 5.1383 |
| Topological Polar Surface Area | 89.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.20016 |
| Heavy Atoms | 34 |
| Complexity | 1231.9801 |
Chemical Identifiers
| CAS Number | 1022739-55-4 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)CC3=NCCC4=CC(=C(C=C43)OC)OC |
Product Overview
3-(4-ACETYLPHENYL)-1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)UREA (CAS 1022739-55-4), with molecular formula C27H27N3O4 and molecular weight 457.20 g/mol. IUPAC: 1-(4-acetylphenyl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea.
Chemical Property Profile of 3-(4-ACETYLPHENYL)-1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)UREA
Property Insights of 3-(4-ACETYLPHENYL)-1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)UREA
The XLogP value of 5.1383 indicates that 3-(4-ACETYLPHENYL)-1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)UREA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-ACETYLPHENYL)-1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)UREA. Following Lipinski's Rule of Five, 3-(4-ACETYLPHENYL)-1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)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 3-(4-ACETYLPHENYL)-1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)UREA?
The CAS number of 3-(4-ACETYLPHENYL)-1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)UREA is 1022739-55-4.
What is the molecular formula of 3-(4-ACETYLPHENYL)-1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)UREA?
The molecular formula of 3-(4-ACETYLPHENYL)-1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)UREA is C27H27N3O4.
What is the molecular weight of 3-(4-ACETYLPHENYL)-1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)UREA?
The molecular weight of 3-(4-ACETYLPHENYL)-1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)UREA is 457.20 g/mol.
Where can I buy 3-(4-ACETYLPHENYL)-1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)UREA?
You can request a quote for 3-(4-ACETYLPHENYL)-1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)UREA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-ACETYLPHENYL)-1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)UREA?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-ACETYLPHENYL)-1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)UREA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.