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Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-4-methylpentanoate
TL;DR: Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-4-methylpentanoate (CAS 477862-85-4) is a chemical compound with molecular formula C11H17N3O3 and molecular weight 239.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-4-methylpentanoate
Also Known As: ethyl 3-[(Z)-2-(2-cyanoacetyl)hydrazono]-4-methylpentanoate, ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-4-methylpentanoate
| Molecular Formula | C11H17N3O3 |
|---|---|
| Molecular Weight | 239.13 g/mol |
| LogP | 0.98148 |
| Topological Polar Surface Area | 91.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.127 |
| Heavy Atoms | 17 |
| Complexity | 342.36105 |
Chemical Identifiers
| CAS Number | 477862-85-4 |
|---|---|
| SMILES | CCOC(=O)CC(=NNC(=O)CC#N)C(C)C |
Product Overview
Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-4-methylpentanoate (CAS 477862-85-4), with molecular formula C11H17N3O3 and molecular weight 239.13 g/mol. IUPAC: ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-4-methylpentanoate.
Chemical Property Profile of Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-4-methylpentanoate
Property Insights of Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-4-methylpentanoate
The XLogP value of 0.98148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-4-methylpentanoate. The TPSA of 91.55 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-4-methylpentanoate. Following Lipinski's Rule of Five, Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-4-methylpentanoate 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]-4-methylpentanoate?
The CAS number of Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-4-methylpentanoate is 477862-85-4.
What is the molecular formula of Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-4-methylpentanoate?
The molecular formula of Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-4-methylpentanoate is C11H17N3O3.
What is the molecular weight of Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-4-methylpentanoate?
The molecular weight of Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-4-methylpentanoate is 239.13 g/mol.
Where can I buy Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-4-methylpentanoate?
You can request a quote for Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-4-methylpentanoate 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]-4-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-[(2-cyanoacetyl)hydrazinylidene]-4-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.