![(5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione structure](/static/products/3391/339101-16-5.webp)
(5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione
TL;DR: (5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione (CAS 339101-16-5) is a chemical compound with molecular formula C25H16Cl2F6N6O4 and molecular weight 648.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]iminomethyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: (5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione, 8L-909, 1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-[(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione, 1-[2-[[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-5-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]iminomethyl]-6-hydroxypyrimidine-2,4-dione, (5E)-1-[2-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino]ethyl]-5-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyanilino]methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C25H16Cl2F6N6O4 |
|---|---|
| Molecular Weight | 648.05 g/mol |
| LogP | 6.0316 |
| Topological Polar Surface Area | 134.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 648.05145 |
| Heavy Atoms | 43 |
| Complexity | 1789.9368 |
Chemical Identifiers
| CAS Number | 339101-16-5 |
|---|---|
| SMILES | C1=CC(=CC=C1N=CC2=C(N(C(=O)NC2=O)CCNC3=C(C=C(C=N3)C(F)(F)F)Cl)O)OC4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
(5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione (CAS 339101-16-5), with molecular formula C25H16Cl2F6N6O4 and molecular weight 648.05 g/mol. IUPAC: 1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-5-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]iminomethyl]-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of (5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione
Property Insights of (5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione
The XLogP value of 6.0316 indicates that (5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.49 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione?
The CAS number of (5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione is 339101-16-5.
What is the molecular formula of (5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione?
The molecular formula of (5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione is C25H16Cl2F6N6O4.
What is the molecular weight of (5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione?
The molecular weight of (5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione is 648.05 g/mol.
Where can I buy (5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione?
You can request a quote for (5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-{[(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)amino]methylidene}-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.