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Ethyl cyano[2-(4-methylphenyl)hydrazinylidene]acetate
TL;DR: Ethyl cyano[2-(4-methylphenyl)hydrazinylidene]acetate (CAS 6797-29-1) is a chemical compound with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate
Also Known As: Cyanoglyoxylic acid ethyl ester 2-p-tolylhydrazone, ethyl (2E)-cyano[(4-methylphenyl)hydrazono]acetate, Ethyl 2-cyano-2-[2-(4-methylphenyl)hydrazinylidene]acetate, ethyl cyano[2-(4-methylphenyl)hydrazinylidene]acetate, ethyl 2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate
| Molecular Formula | C12H13N3O2 |
|---|---|
| Molecular Weight | 231.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 231.10077 |
| Heavy Atoms | 17 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 6797-29-1 |
|---|---|
| SMILES | CCOC(=O)C(=NNC1=CC=C(C=C1)C)C#N |
| InChIKey | LJJWDVKQLWYWDW-UHFFFAOYSA-N |
Product Overview
Ethyl cyano[2-(4-methylphenyl)hydrazinylidene]acetate (CAS 6797-29-1), with molecular formula C12H13N3O2 and molecular weight 231.10 g/mol. IUPAC: ethyl 2-cyano-2-[(4-methylphenyl)hydrazinylidene]acetate.
Chemical Property Profile of Ethyl cyano[2-(4-methylphenyl)hydrazinylidene]acetate
Property Insights of Ethyl cyano[2-(4-methylphenyl)hydrazinylidene]acetate
The XLogP value of 3.7 indicates that Ethyl cyano[2-(4-methylphenyl)hydrazinylidene]acetate 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 Ethyl cyano[2-(4-methylphenyl)hydrazinylidene]acetate. Following Lipinski's Rule of Five, Ethyl cyano[2-(4-methylphenyl)hydrazinylidene]acetate 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 cyano[2-(4-methylphenyl)hydrazinylidene]acetate?
The CAS number of Ethyl cyano[2-(4-methylphenyl)hydrazinylidene]acetate is 6797-29-1.
What is the molecular formula of Ethyl cyano[2-(4-methylphenyl)hydrazinylidene]acetate?
The molecular formula of Ethyl cyano[2-(4-methylphenyl)hydrazinylidene]acetate is C12H13N3O2.
What is the molecular weight of Ethyl cyano[2-(4-methylphenyl)hydrazinylidene]acetate?
The molecular weight of Ethyl cyano[2-(4-methylphenyl)hydrazinylidene]acetate is 231.10 g/mol.
Where can I buy Ethyl cyano[2-(4-methylphenyl)hydrazinylidene]acetate?
You can request a quote for Ethyl cyano[2-(4-methylphenyl)hydrazinylidene]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl cyano[2-(4-methylphenyl)hydrazinylidene]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl cyano[2-(4-methylphenyl)hydrazinylidene]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.