2-(1,3-Benzodioxol-5-yl)-6,8-dibromoquinoline
TL;DR: 2-(1,3-Benzodioxol-5-yl)-6,8-dibromoquinoline (CAS 861206-55-5) is a chemical compound with molecular formula C16H9Br2NO2 and molecular weight 404.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-6,8-dibromoquinoline
Also Known As: 2-(1,3-benzodioxol-5-yl)-6,8-dibromoquinoline, 2-(2H-1,3-benzodioxol-5-yl)-6,8-dibromoquinoline, 1W-0917
| Molecular Formula | C16H9Br2NO2 |
|---|---|
| Molecular Weight | 404.90 g/mol |
| LogP | 5.1555 |
| Topological Polar Surface Area | 31.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 404.9 |
| Heavy Atoms | 21 |
| Complexity | 864.2651 |
Chemical Identifiers
| CAS Number | 861206-55-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NC4=C(C=C(C=C4C=C3)Br)Br |
Product Overview
2-(1,3-Benzodioxol-5-yl)-6,8-dibromoquinoline (CAS 861206-55-5), with molecular formula C16H9Br2NO2 and molecular weight 404.90 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-6,8-dibromoquinoline.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-yl)-6,8-dibromoquinoline
Property Insights of 2-(1,3-Benzodioxol-5-yl)-6,8-dibromoquinoline
The XLogP value of 5.1555 indicates that 2-(1,3-Benzodioxol-5-yl)-6,8-dibromoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 31.35 Ų, 2-(1,3-Benzodioxol-5-yl)-6,8-dibromoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-yl)-6,8-dibromoquinoline has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1,3-Benzodioxol-5-yl)-6,8-dibromoquinoline?
The CAS number of 2-(1,3-Benzodioxol-5-yl)-6,8-dibromoquinoline is 861206-55-5.
What is the molecular formula of 2-(1,3-Benzodioxol-5-yl)-6,8-dibromoquinoline?
The molecular formula of 2-(1,3-Benzodioxol-5-yl)-6,8-dibromoquinoline is C16H9Br2NO2.
What is the molecular weight of 2-(1,3-Benzodioxol-5-yl)-6,8-dibromoquinoline?
The molecular weight of 2-(1,3-Benzodioxol-5-yl)-6,8-dibromoquinoline is 404.90 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-yl)-6,8-dibromoquinoline?
You can request a quote for 2-(1,3-Benzodioxol-5-yl)-6,8-dibromoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-yl)-6,8-dibromoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-yl)-6,8-dibromoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.