Quin2
TL;DR: Quin2 (CAS 83014-44-2) is a chemical compound with molecular formula C26H27N3O10 and molecular weight 541.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[[8-[bis(carboxymethyl)amino]-6-methoxyquinolin-2-yl]methoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid
Also Known As: Quin2, Quin II, Quin 2, QUIN2 FREE ACID, Quin-2 (potassium salt)
| Molecular Formula | C26H27N3O10 |
|---|---|
| Molecular Weight | 541.17 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 14 |
| Exact Mass | 541.1696 |
| Heavy Atoms | 39 |
| Complexity | 841.0 |
Chemical Identifiers
| CAS Number | 83014-44-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N(CC(=O)O)CC(=O)O)OCC2=NC3=C(C=C(C=C3C=C2)OC)N(CC(=O)O)CC(=O)O |
| InChIKey | XCBWMEWFFNUFLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quin2 (CAS 83014-44-2), with molecular formula C26H27N3O10 and molecular weight 541.17 g/mol. IUPAC: 2-[2-[[8-[bis(carboxymethyl)amino]-6-methoxyquinolin-2-yl]methoxy]-N-(carboxymethyl)-4-methylanilino]acetic acid.
Chemical Property Profile of Quin2
Property Insights of Quin2
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quin2. The TPSA of 187.0 Ų indicates high polarity, suggesting Quin2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quin2 has 4 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quin2?
The CAS number of Quin2 is 83014-44-2.
What is the molecular formula of Quin2?
The molecular formula of Quin2 is C26H27N3O10.
What is the molecular weight of Quin2?
The molecular weight of Quin2 is 541.17 g/mol.
Where can I buy Quin2?
You can request a quote for Quin2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quin2?
Yes, KEHONG BIO provides custom synthesis services for Quin2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.