![1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea structure](/static/products/1022/1022789-72-5.webp)
1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea
TL;DR: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea (CAS 1022789-72-5) is a chemical compound with molecular formula C26H27N3O3S and molecular weight 461.18 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-(4-methylsulfanylphenyl)urea
Also Known As: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea, 1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)-3-(4-METHYLTHIOPHENYL)UREA, 3-{4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl}-1-[4-(methylsulfanyl)phenyl]urea
| Molecular Formula | C26H27N3O3S |
|---|---|
| Molecular Weight | 461.18 g/mol |
| LogP | 5.6576 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.1773 |
| Heavy Atoms | 33 |
| Complexity | 1158.6497 |
Chemical Identifiers
| CAS Number | 1022789-72-5 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCN=C2CC3=CC=C(C=C3)NC(=O)NC4=CC=C(C=C4)SC)OC |
Product Overview
1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea (CAS 1022789-72-5), with molecular formula C26H27N3O3S and molecular weight 461.18 g/mol. IUPAC: 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea.
Chemical Property Profile of 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea
Property Insights of 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea
The XLogP value of 5.6576 indicates that 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.95 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-(4-methylsulfanylphenyl)urea. Following Lipinski's Rule of Five, 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)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-(4-methylsulfanylphenyl)urea?
The CAS number of 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea is 1022789-72-5.
What is the molecular formula of 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea?
The molecular formula of 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea is C26H27N3O3S.
What is the molecular weight of 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea?
The molecular weight of 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea is 461.18 g/mol.
Where can I buy 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea?
You can request a quote for 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)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-(4-methylsulfanylphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]-3-(4-methylsulfanylphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.