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Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-2-methylbutanoate
TL;DR: Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-2-methylbutanoate (CAS 5172-63-4) is a chemical compound with molecular formula C10H15N3O3 and molecular weight 225.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-2-methylbutanoate
Also Known As: ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-2-methylbutanoate, ethyl 3-[(E)-2-(2-cyanoacetyl)hydrazono]-2-methylbutanoate
| Molecular Formula | C10H15N3O3 |
|---|---|
| Molecular Weight | 225.11 g/mol |
| LogP | 0.59138 |
| Topological Polar Surface Area | 91.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 225.11134 |
| Heavy Atoms | 16 |
| Complexity | 330.6912 |
Chemical Identifiers
| CAS Number | 5172-63-4 |
|---|---|
| SMILES | CCOC(=O)C(C)C(=NNC(=O)CC#N)C |
Product Overview
Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-2-methylbutanoate (CAS 5172-63-4), with molecular formula C10H15N3O3 and molecular weight 225.11 g/mol. IUPAC: ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-2-methylbutanoate.
Chemical Property Profile of Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-2-methylbutanoate
Property Insights of Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-2-methylbutanoate
The XLogP value of 0.59138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-2-methylbutanoate. The TPSA of 91.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-2-methylbutanoate. Following Lipinski's Rule of Five, Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-2-methylbutanoate has 1 hydrogen bond donor(s) and 5 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 3-[(2-cyanoacetyl)hydrazinylidene]-2-methylbutanoate?
The CAS number of Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-2-methylbutanoate is 5172-63-4.
What is the molecular formula of Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-2-methylbutanoate?
The molecular formula of Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-2-methylbutanoate is C10H15N3O3.
What is the molecular weight of Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-2-methylbutanoate?
The molecular weight of Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-2-methylbutanoate is 225.11 g/mol.
Where can I buy Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-2-methylbutanoate?
You can request a quote for Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-2-methylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-2-methylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-2-methylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.