![ethyl 5-(amino{[(2,3,3-trichloroallanoyl)oxy]imino}methyl)-6-methyl-2-(trifluoromethyl)nicotinate structure](/static/products/6464/646455-74-5.webp)
ethyl 5-(amino{[(2,3,3-trichloroallanoyl)oxy]imino}methyl)-6-methyl-2-(trifluoromethyl)nicotinate
TL;DR: ethyl 5-(amino{[(2,3,3-trichloroallanoyl)oxy]imino}methyl)-6-methyl-2-(trifluoromethyl)nicotinate (CAS 646455-74-5) is a chemical compound with molecular formula C14H11Cl3F3N3O4 and molecular weight 446.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-5-[N'-(2,3,3-trichloroprop-2-enoyloxy)carbamimidoyl]-2-(trifluoromethyl)pyridine-3-carboxylate
Also Known As: ethyl 5-(amino{[(2,3,3-trichloroallanoyl)oxy]imino}methyl)-6-methyl-2-(trifluoromethyl)nicotinate, ethyl 6-methyl-5-[N'-(2,3,3-trichloroprop-2-enoyloxy)carbamimidoyl]-2-(trifluoromethyl)pyridine-3-carboxylate
| Molecular Formula | C14H11Cl3F3N3O4 |
|---|---|
| Molecular Weight | 446.98 g/mol |
| LogP | 3.63452 |
| Topological Polar Surface Area | 103.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.9767 |
| Heavy Atoms | 27 |
| Complexity | 821.806 |
Chemical Identifiers
| CAS Number | 646455-74-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(C(=C1)C(=NOC(=O)C(=C(Cl)Cl)Cl)N)C)C(F)(F)F |
Product Overview
ethyl 5-(amino{[(2,3,3-trichloroallanoyl)oxy]imino}methyl)-6-methyl-2-(trifluoromethyl)nicotinate (CAS 646455-74-5), with molecular formula C14H11Cl3F3N3O4 and molecular weight 446.98 g/mol. IUPAC: ethyl 6-methyl-5-[N'-(2,3,3-trichloroprop-2-enoyloxy)carbamimidoyl]-2-(trifluoromethyl)pyridine-3-carboxylate.
Chemical Property Profile of ethyl 5-(amino{[(2,3,3-trichloroallanoyl)oxy]imino}methyl)-6-methyl-2-(trifluoromethyl)nicotinate
Property Insights of ethyl 5-(amino{[(2,3,3-trichloroallanoyl)oxy]imino}methyl)-6-methyl-2-(trifluoromethyl)nicotinate
The XLogP value of 3.63452 indicates that ethyl 5-(amino{[(2,3,3-trichloroallanoyl)oxy]imino}methyl)-6-methyl-2-(trifluoromethyl)nicotinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.87 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(amino{[(2,3,3-trichloroallanoyl)oxy]imino}methyl)-6-methyl-2-(trifluoromethyl)nicotinate. Following Lipinski's Rule of Five, ethyl 5-(amino{[(2,3,3-trichloroallanoyl)oxy]imino}methyl)-6-methyl-2-(trifluoromethyl)nicotinate has 1 hydrogen bond donor(s) and 6 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 ethyl 5-(amino{[(2,3,3-trichloroallanoyl)oxy]imino}methyl)-6-methyl-2-(trifluoromethyl)nicotinate?
The CAS number of ethyl 5-(amino{[(2,3,3-trichloroallanoyl)oxy]imino}methyl)-6-methyl-2-(trifluoromethyl)nicotinate is 646455-74-5.
What is the molecular formula of ethyl 5-(amino{[(2,3,3-trichloroallanoyl)oxy]imino}methyl)-6-methyl-2-(trifluoromethyl)nicotinate?
The molecular formula of ethyl 5-(amino{[(2,3,3-trichloroallanoyl)oxy]imino}methyl)-6-methyl-2-(trifluoromethyl)nicotinate is C14H11Cl3F3N3O4.
What is the molecular weight of ethyl 5-(amino{[(2,3,3-trichloroallanoyl)oxy]imino}methyl)-6-methyl-2-(trifluoromethyl)nicotinate?
The molecular weight of ethyl 5-(amino{[(2,3,3-trichloroallanoyl)oxy]imino}methyl)-6-methyl-2-(trifluoromethyl)nicotinate is 446.98 g/mol.
Where can I buy ethyl 5-(amino{[(2,3,3-trichloroallanoyl)oxy]imino}methyl)-6-methyl-2-(trifluoromethyl)nicotinate?
You can request a quote for ethyl 5-(amino{[(2,3,3-trichloroallanoyl)oxy]imino}methyl)-6-methyl-2-(trifluoromethyl)nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-(amino{[(2,3,3-trichloroallanoyl)oxy]imino}methyl)-6-methyl-2-(trifluoromethyl)nicotinate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(amino{[(2,3,3-trichloroallanoyl)oxy]imino}methyl)-6-methyl-2-(trifluoromethyl)nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.