Quinetolate
TL;DR: Quinetolate (CAS 5714-76-1) is a chemical compound with molecular formula C38H57N5O7 and molecular weight 695.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(6-(diethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid);N-(6-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine
Also Known As: Quinetalate, QUINETOLATE, Quinetalatum, Chinetalatum, Quinetalato
| Molecular Formula | C38H57N5O7 |
|---|---|
| Molecular Weight | 695.43 g/mol |
| LogP | 5.26 |
| Topological Polar Surface Area | 153.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 13 |
| Exact Mass | 695.4258 |
| Heavy Atoms | 50 |
| Complexity | 542.0 |
Chemical Identifiers
| CAS Number | 5714-76-1 |
|---|---|
| SMILES | CCN(CC)C(=O)C1CC=CCC1C(=O)O.CCN(CC)C(=O)C1CC=CCC1C(=O)O.CN(C)CCNC1=C2C=C(C=CC2=NC=C1)OC |
| InChIKey | IYQFWDZTTDVVBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quinetolate (CAS 5714-76-1), with molecular formula C38H57N5O7 and molecular weight 695.43 g/mol. IUPAC: bis(6-(diethylcarbamoyl)cyclohex-3-ene-1-carboxylic acid);N-(6-methoxyquinolin-4-yl)-N',N'-dimethylethane-1,2-diamine.
Chemical Property Profile of Quinetolate
Property Insights of Quinetolate
The XLogP value of 5.26 indicates that Quinetolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 153.0 Ų indicates high polarity, suggesting Quinetolate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quinetolate has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quinetolate?
The CAS number of Quinetolate is 5714-76-1.
What is the molecular formula of Quinetolate?
The molecular formula of Quinetolate is C38H57N5O7.
What is the molecular weight of Quinetolate?
The molecular weight of Quinetolate is 695.43 g/mol.
Where can I buy Quinetolate?
You can request a quote for Quinetolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinetolate?
Yes, KEHONG BIO provides custom synthesis services for Quinetolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.