8J-051
TL;DR: 8J-051 (CAS 339100-03-7) is a chemical compound with molecular formula C18H11Cl2F3N2O3 and molecular weight 430.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-3-carboxylate
Also Known As: 8J-051, ethyl 4-chloro-6-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}-3-quinolinecarboxylate, ethyl 4-chloro-6-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyquinoline-3-carboxylate, ethyl 4-chloro-6-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}quinoline-3-carboxylate, Ethyl 4-chloro-6-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-quinoline-3-carboxylate
| Molecular Formula | C18H11Cl2F3N2O3 |
|---|---|
| Molecular Weight | 430.01 g/mol |
| LogP | 5.9244 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.0099 |
| Heavy Atoms | 28 |
| Complexity | 1058.1606 |
Chemical Identifiers
| CAS Number | 339100-03-7 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C2C=CC(=CC2=C1Cl)OC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
8J-051 (CAS 339100-03-7), with molecular formula C18H11Cl2F3N2O3 and molecular weight 430.01 g/mol. IUPAC: ethyl 4-chloro-6-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]quinoline-3-carboxylate.
Chemical Property Profile of 8J-051
Property Insights of 8J-051
The XLogP value of 5.9244 indicates that 8J-051 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 8J-051. Following Lipinski's Rule of Five, 8J-051 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8J-051?
The CAS number of 8J-051 is 339100-03-7.
What is the molecular formula of 8J-051?
The molecular formula of 8J-051 is C18H11Cl2F3N2O3.
What is the molecular weight of 8J-051?
The molecular weight of 8J-051 is 430.01 g/mol.
Where can I buy 8J-051?
You can request a quote for 8J-051 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8J-051?
Yes, KEHONG BIO provides custom synthesis services for 8J-051 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.