![3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-nitroacrylaldehyde O-methyloxime structure](/static/products/3384/338422-88-1.webp)
3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-nitroacrylaldehyde O-methyloxime
TL;DR: 3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-nitroacrylaldehyde O-methyloxime (CAS 338422-88-1) is a chemical compound with molecular formula C16H12ClF3N4O4 and molecular weight 416.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]imino-N-methoxy-2-nitroprop-1-en-1-amine
Also Known As: 3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-nitroacrylaldehyde O-methyloxime, 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]imino-N-methoxy-2-nitro-prop-1-en-1-amine, 3-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]imino-N-methoxy-2-nitroprop-1-en-1-amine
| Molecular Formula | C16H12ClF3N4O4 |
|---|---|
| Molecular Weight | 416.05 g/mol |
| LogP | 4.5175 |
| Topological Polar Surface Area | 98.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.04993 |
| Heavy Atoms | 28 |
| Complexity | 901.7526 |
Chemical Identifiers
| CAS Number | 338422-88-1 |
|---|---|
| SMILES | CONC=C(C=NC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl)[N+](=O)[O-] |
Product Overview
3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-nitroacrylaldehyde O-methyloxime (CAS 338422-88-1), with molecular formula C16H12ClF3N4O4 and molecular weight 416.05 g/mol. IUPAC: 3-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]imino-N-methoxy-2-nitroprop-1-en-1-amine.
Chemical Property Profile of 3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-nitroacrylaldehyde O-methyloxime
Property Insights of 3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-nitroacrylaldehyde O-methyloxime
The XLogP value of 4.5175 indicates that 3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-nitroacrylaldehyde O-methyloxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-nitroacrylaldehyde O-methyloxime. Following Lipinski's Rule of Five, 3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-nitroacrylaldehyde O-methyloxime has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-nitroacrylaldehyde O-methyloxime?
The CAS number of 3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-nitroacrylaldehyde O-methyloxime is 338422-88-1.
What is the molecular formula of 3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-nitroacrylaldehyde O-methyloxime?
The molecular formula of 3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-nitroacrylaldehyde O-methyloxime is C16H12ClF3N4O4.
What is the molecular weight of 3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-nitroacrylaldehyde O-methyloxime?
The molecular weight of 3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-nitroacrylaldehyde O-methyloxime is 416.05 g/mol.
Where can I buy 3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-nitroacrylaldehyde O-methyloxime?
You can request a quote for 3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-nitroacrylaldehyde O-methyloxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-nitroacrylaldehyde O-methyloxime?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}anilino)-2-nitroacrylaldehyde O-methyloxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.