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Methyl 2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate
TL;DR: Methyl 2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate (CAS 28313-53-3) is a chemical compound with molecular formula C12H7F6N3O2 and molecular weight 339.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate
Also Known As: AI3-27871, methyl (2Z)-2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylide, 2-Cyano-2-oxoacetic acid methyl ester 2-(3,5-bis(trifluoromethyl)phenyl)hydrazone, Acetic acid, ((3,5-bis(trifluoromethyl)phenyl)hydrazono)cyano-, methyl ester, Acetic acid, 2-cyano-2-oxo-, methyl ester, 2-(3,5-bis(trifluoromethyl)phenyl)hydrazone
| Molecular Formula | C12H7F6N3O2 |
|---|---|
| Molecular Weight | 339.04 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.04425 |
| Heavy Atoms | 23 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 28313-53-3 |
|---|---|
| SMILES | COC(=O)C(=NNC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C#N |
| InChIKey | CNRQXCFEYFNRQZ-UHFFFAOYSA-N |
Product Overview
Methyl 2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate (CAS 28313-53-3), with molecular formula C12H7F6N3O2 and molecular weight 339.04 g/mol. IUPAC: methyl 2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate.
Chemical Property Profile of Methyl 2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate
Property Insights of Methyl 2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate
The XLogP value of 5.0 indicates that Methyl 2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate. Following Lipinski's Rule of Five, Methyl 2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate?
The CAS number of Methyl 2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate is 28313-53-3.
What is the molecular formula of Methyl 2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate?
The molecular formula of Methyl 2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate is C12H7F6N3O2.
What is the molecular weight of Methyl 2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate?
The molecular weight of Methyl 2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate is 339.04 g/mol.
Where can I buy Methyl 2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate?
You can request a quote for Methyl 2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[[3,5-bis(trifluoromethyl)phenyl]hydrazinylidene]-2-cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.