J3.709.936H
TL;DR: J3.709.936H (CAS 2220-04-4) is a chemical compound with molecular formula C20H20BrNO4 and molecular weight 417.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
Also Known As: J3.709.936H, 1-(4-bromophenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone, 1-(4-Bromophenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-1,3-dioxolo[4,5-g]isoquinoline-5-yl)ethanone, 1-(4-bromophenyl)-2-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone, 1-(4-bromophenyl)-2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone
| Molecular Formula | C20H20BrNO4 |
|---|---|
| Molecular Weight | 417.06 g/mol |
| LogP | 3.9884 |
| Topological Polar Surface Area | 48.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.05756 |
| Heavy Atoms | 26 |
| Complexity | 849.87994 |
Chemical Identifiers
| CAS Number | 2220-04-4 |
|---|---|
| SMILES | CN1CCC2=CC3=C(C(=C2C1CC(=O)C4=CC=C(C=C4)Br)OC)OCO3 |
Product Overview
J3.709.936H (CAS 2220-04-4), with molecular formula C20H20BrNO4 and molecular weight 417.06 g/mol. IUPAC: 1-(4-bromophenyl)-2-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)ethanone.
Chemical Property Profile of J3.709.936H
Property Insights of J3.709.936H
The XLogP value of 3.9884 indicates that J3.709.936H is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.0 Ų, J3.709.936H exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, J3.709.936H 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 J3.709.936H?
The CAS number of J3.709.936H is 2220-04-4.
What is the molecular formula of J3.709.936H?
The molecular formula of J3.709.936H is C20H20BrNO4.
What is the molecular weight of J3.709.936H?
The molecular weight of J3.709.936H is 417.06 g/mol.
Where can I buy J3.709.936H?
You can request a quote for J3.709.936H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J3.709.936H?
Yes, KEHONG BIO provides custom synthesis services for J3.709.936H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.