8-Quinolinolium 4',7'-dibromo-3'-hydroxy-2'-naphthoate
TL;DR: 8-Quinolinolium 4',7'-dibromo-3'-hydroxy-2'-naphthoate (CAS 63716-63-2) is a chemical compound with molecular formula C20H13Br2NO3 and molecular weight 472.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6-dibromo-8-(hydroxymethyl)-3-quinolin-8-yloxynaphthalen-2-ol
Also Known As: Bromcresol Purple sodium, KST-1B6905, 8-Quinolinolium 4',7'-dibromo-3'-hydroxy-2'-naphthoate, 1,6-dibromo-8-(hydroxymethyl)-3-(quinolin-8-yloxy)naphthalen-2-ol, 1,6-dibromo-8-(hydroxymethyl)-3-quinolin-8-yloxynaphthalen-2-ol
| Molecular Formula | C20H13Br2NO3 |
|---|---|
| Molecular Weight | 472.93 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 474.92416 |
| Heavy Atoms | 26 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 63716-63-2 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)OC3=CC4=CC(=CC(=C4C(=C3O)Br)CO)Br)N=CC=C2 |
| InChIKey | OKTUZPNHTNSWOS-UHFFFAOYSA-N |
Product Overview
8-Quinolinolium 4',7'-dibromo-3'-hydroxy-2'-naphthoate (CAS 63716-63-2), with molecular formula C20H13Br2NO3 and molecular weight 472.93 g/mol. IUPAC: 1,6-dibromo-8-(hydroxymethyl)-3-quinolin-8-yloxynaphthalen-2-ol.
Chemical Property Profile of 8-Quinolinolium 4',7'-dibromo-3'-hydroxy-2'-naphthoate
Property Insights of 8-Quinolinolium 4',7'-dibromo-3'-hydroxy-2'-naphthoate
The XLogP value of 5.1 indicates that 8-Quinolinolium 4',7'-dibromo-3'-hydroxy-2'-naphthoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Quinolinolium 4',7'-dibromo-3'-hydroxy-2'-naphthoate. Following Lipinski's Rule of Five, 8-Quinolinolium 4',7'-dibromo-3'-hydroxy-2'-naphthoate has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-Quinolinolium 4',7'-dibromo-3'-hydroxy-2'-naphthoate?
The CAS number of 8-Quinolinolium 4',7'-dibromo-3'-hydroxy-2'-naphthoate is 63716-63-2.
What is the molecular formula of 8-Quinolinolium 4',7'-dibromo-3'-hydroxy-2'-naphthoate?
The molecular formula of 8-Quinolinolium 4',7'-dibromo-3'-hydroxy-2'-naphthoate is C20H13Br2NO3.
What is the molecular weight of 8-Quinolinolium 4',7'-dibromo-3'-hydroxy-2'-naphthoate?
The molecular weight of 8-Quinolinolium 4',7'-dibromo-3'-hydroxy-2'-naphthoate is 472.93 g/mol.
Where can I buy 8-Quinolinolium 4',7'-dibromo-3'-hydroxy-2'-naphthoate?
You can request a quote for 8-Quinolinolium 4',7'-dibromo-3'-hydroxy-2'-naphthoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Quinolinolium 4',7'-dibromo-3'-hydroxy-2'-naphthoate?
Yes, KEHONG BIO provides custom synthesis services for 8-Quinolinolium 4',7'-dibromo-3'-hydroxy-2'-naphthoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.