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Methyl 2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate
TL;DR: Methyl 2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate (CAS 59061-89-1) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate
Also Known As: methyl (2E)-2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 59061-89-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NN=C(C#N)C(=O)OC |
| InChIKey | CXYVSSXIXOJAGA-UHFFFAOYSA-N |
Product Overview
Methyl 2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate (CAS 59061-89-1), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: methyl 2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate.
Chemical Property Profile of Methyl 2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate
Property Insights of Methyl 2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate
The XLogP value of 3.3 indicates that Methyl 2-cyano-2-[(3-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 Methyl 2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate. Following Lipinski's Rule of Five, Methyl 2-cyano-2-[(3-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 Methyl 2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate?
The CAS number of Methyl 2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate is 59061-89-1.
What is the molecular formula of Methyl 2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate?
The molecular formula of Methyl 2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate is C11H11N3O2.
What is the molecular weight of Methyl 2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate?
The molecular weight of Methyl 2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate is 217.09 g/mol.
Where can I buy Methyl 2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate?
You can request a quote for Methyl 2-cyano-2-[(3-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 Methyl 2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-cyano-2-[(3-methylphenyl)hydrazinylidene]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.