Ethyl acetamidocyanoacetate
TL;DR: Ethyl acetamidocyanoacetate (CAS 4977-62-2) is a chemical compound with molecular formula C7H10N2O3 and molecular weight 170.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-2-cyanoacetate
Also Known As: Ethyl acetamidocyanoacetate, Ethyl 2-acetamido-2-cyanoacetate, Ethyl acetaminocyanoacetate, Glycine, ethyl ester, Acetic acid, ethyl ester
| Molecular Formula | C7H10N2O3 |
|---|---|
| Molecular Weight | 170.07 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.06914 |
| Heavy Atoms | 12 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 4977-62-2 |
|---|---|
| SMILES | CCOC(=O)C(C#N)NC(=O)C |
| InChIKey | SLIRLABNGAZSHX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl acetamidocyanoacetate (CAS 4977-62-2), with molecular formula C7H10N2O3 and molecular weight 170.07 g/mol. IUPAC: ethyl 2-acetamido-2-cyanoacetate.
Chemical Property Profile of Ethyl acetamidocyanoacetate
Property Insights of Ethyl acetamidocyanoacetate
The XLogP value of -0.2 indicates that Ethyl acetamidocyanoacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl acetamidocyanoacetate. Following Lipinski's Rule of Five, Ethyl acetamidocyanoacetate has 1 hydrogen bond donor(s) and 4 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 acetamidocyanoacetate?
The CAS number of Ethyl acetamidocyanoacetate is 4977-62-2.
What is the molecular formula of Ethyl acetamidocyanoacetate?
The molecular formula of Ethyl acetamidocyanoacetate is C7H10N2O3.
What is the molecular weight of Ethyl acetamidocyanoacetate?
The molecular weight of Ethyl acetamidocyanoacetate is 170.07 g/mol.
Where can I buy Ethyl acetamidocyanoacetate?
You can request a quote for Ethyl acetamidocyanoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl acetamidocyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl acetamidocyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.