![1-(1,3-benzodioxol-5-yl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea structure](/static/products/1022/1022477-90-2.webp)
1-(1,3-benzodioxol-5-yl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea
TL;DR: 1-(1,3-benzodioxol-5-yl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea (CAS 1022477-90-2) is a chemical compound with molecular formula C26H25N3O5 and molecular weight 459.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea
Also Known As: 1-(1,3-benzodioxol-5-yl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea, 3-(BENZO[3,4-D]1,3-DIOXOLEN-5-YL)-1-(4-((6,7-DIMETHOXY(3,4-DIHYDROISOQUINOLYL))METHYL)PHENYL)UREA, 3-(2H-1,3-benzodioxol-5-yl)-1-{4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl}urea, 3-benzo[1,3]dioxol-5-yl-1-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea
| Molecular Formula | C26H25N3O5 |
|---|---|
| Molecular Weight | 459.18 g/mol |
| LogP | 4.6644 |
| Topological Polar Surface Area | 90.41 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.1794 |
| Heavy Atoms | 34 |
| Complexity | 1254.0361 |
Chemical Identifiers
| CAS Number | 1022477-90-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)CCN=C2CC3=CC=C(C=C3)NC(=O)NC4=CC5=C(C=C4)OCO5)OC |
Product Overview
1-(1,3-benzodioxol-5-yl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea (CAS 1022477-90-2), with molecular formula C26H25N3O5 and molecular weight 459.18 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea.
Chemical Property Profile of 1-(1,3-benzodioxol-5-yl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea
Property Insights of 1-(1,3-benzodioxol-5-yl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea
The XLogP value of 4.6644 indicates that 1-(1,3-benzodioxol-5-yl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.41 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-benzodioxol-5-yl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-yl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea has 2 hydrogen bond donor(s) and 6 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-(1,3-benzodioxol-5-yl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea?
The CAS number of 1-(1,3-benzodioxol-5-yl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea is 1022477-90-2.
What is the molecular formula of 1-(1,3-benzodioxol-5-yl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea?
The molecular formula of 1-(1,3-benzodioxol-5-yl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea is C26H25N3O5.
What is the molecular weight of 1-(1,3-benzodioxol-5-yl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea?
The molecular weight of 1-(1,3-benzodioxol-5-yl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea is 459.18 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-yl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea?
You can request a quote for 1-(1,3-benzodioxol-5-yl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)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 1-(1,3-benzodioxol-5-yl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-yl)-3-[4-[(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)methyl]phenyl]urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.