2'-Hydroxy[1,1'-biphenyl]-2,3'-dicarboxylic acid--6'-methoxycinchonan-9-ol (1/1) structure

2'-Hydroxy[1,1'-biphenyl]-2,3'-dicarboxylic acid--6'-methoxycinchonan-9-ol (1/1)

TL;DR: 2'-Hydroxy[1,1'-biphenyl]-2,3'-dicarboxylic acid--6'-methoxycinchonan-9-ol (1/1) (CAS 117-72-6) is a chemical compound with molecular formula C34H34N2O7 and molecular weight 582.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.

3-(2-carboxyphenyl)-2-hydroxybenzoic acid;(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol

Also Known As: Quinisal, Quinisan, Quinine, compd. with salicylic acid salicylicate, 2'-Hydroxy[1,1'-biphenyl]-2,3'-dicarboxylic acid--6'-methoxycinchonan-9-ol (1/1), 3-(2-carboxyphenyl)-2-hydroxy-benzoic acid; (5-ethenyl-1-azabicyclo[2.2.2]oct-7-yl)-(6-methoxyquinolin-4-yl)methanol

CAS: 117-72-6
Molecular Formula C34H34N2O7
Molecular Weight 582.24 g/mol
LogP 5.6288
Topological Polar Surface Area 140.42 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 7
Rotatable Bonds 7
Exact Mass 582.2366
Heavy Atoms 43
Complexity 1670.139

Chemical Identifiers

CAS Number 117-72-6
SMILES COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.C1=CC=C(C(=C1)C2=C(C(=CC=C2)C(=O)O)O)C(=O)O

Product Overview

2'-Hydroxy[1,1'-biphenyl]-2,3'-dicarboxylic acid--6'-methoxycinchonan-9-ol (1/1) (CAS 117-72-6), with molecular formula C34H34N2O7 and molecular weight 582.24 g/mol. IUPAC: 3-(2-carboxyphenyl)-2-hydroxybenzoic acid;(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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Chemical Property Profile of 2'-Hydroxy[1,1'-biphenyl]-2,3'-dicarboxylic acid--6'-methoxycinchonan-9-ol (1/1)

XLogP
5.6288
TPSA (Topological Polar Surface Area)
140.42
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
7
Rotatable Bonds
7
Heavy Atoms
43
Complexity
1670.139
Exact Mass
582.2366
Monoisotopic Mass
582.2366
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2'-Hydroxy[1,1'-biphenyl]-2,3'-dicarboxylic acid--6'-methoxycinchonan-9-ol (1/1)

The XLogP value of 5.6288 indicates that 2'-Hydroxy[1,1'-biphenyl]-2,3'-dicarboxylic acid--6'-methoxycinchonan-9-ol (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.42 Ų indicates high polarity, suggesting 2'-Hydroxy[1,1'-biphenyl]-2,3'-dicarboxylic acid--6'-methoxycinchonan-9-ol (1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2'-Hydroxy[1,1'-biphenyl]-2,3'-dicarboxylic acid--6'-methoxycinchonan-9-ol (1/1) has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the typical lead time for this product?
Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.
Can you provide samples for testing?
Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.
What documentation do you provide with the product?
We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.
Do you ship internationally?
Yes, we ship to most countries worldwide. Shipping costs and delivery times vary by location. Please contact us for specific shipping information.

Frequently Asked Questions

What is the CAS number of 2'-Hydroxy[1,1'-biphenyl]-2,3'-dicarboxylic acid--6'-methoxycinchonan-9-ol (1/1)?

The CAS number of 2'-Hydroxy[1,1'-biphenyl]-2,3'-dicarboxylic acid--6'-methoxycinchonan-9-ol (1/1) is 117-72-6.

What is the molecular formula of 2'-Hydroxy[1,1'-biphenyl]-2,3'-dicarboxylic acid--6'-methoxycinchonan-9-ol (1/1)?

The molecular formula of 2'-Hydroxy[1,1'-biphenyl]-2,3'-dicarboxylic acid--6'-methoxycinchonan-9-ol (1/1) is C34H34N2O7.

What is the molecular weight of 2'-Hydroxy[1,1'-biphenyl]-2,3'-dicarboxylic acid--6'-methoxycinchonan-9-ol (1/1)?

The molecular weight of 2'-Hydroxy[1,1'-biphenyl]-2,3'-dicarboxylic acid--6'-methoxycinchonan-9-ol (1/1) is 582.24 g/mol.

Where can I buy 2'-Hydroxy[1,1'-biphenyl]-2,3'-dicarboxylic acid--6'-methoxycinchonan-9-ol (1/1)?

You can request a quote for 2'-Hydroxy[1,1'-biphenyl]-2,3'-dicarboxylic acid--6'-methoxycinchonan-9-ol (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.

Does KEHONG BIO offer custom synthesis for 2'-Hydroxy[1,1'-biphenyl]-2,3'-dicarboxylic acid--6'-methoxycinchonan-9-ol (1/1)?

Yes, KEHONG BIO provides custom synthesis services for 2'-Hydroxy[1,1'-biphenyl]-2,3'-dicarboxylic acid--6'-methoxycinchonan-9-ol (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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