Ethyl 2-benzamido-2-cyanoacetate
TL;DR: Ethyl 2-benzamido-2-cyanoacetate (CAS 55828-02-9) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzamido-2-cyanoacetate
Also Known As: ethyl 2-benzamido-2-cyanoacetate, ethyl2-benzamido-2-cyanoacetate, ethyl (benzoylamino)(cyano)acetate, ethyl 2-benzamido-2-cyano-acetate, Ethyl 2-cyano-2-phenylamidoethanoate
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 0.87168 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 436.814 |
Chemical Identifiers
| CAS Number | 55828-02-9 |
|---|---|
| SMILES | CCOC(=O)C(C#N)NC(=O)C1=CC=CC=C1 |
Product Overview
Ethyl 2-benzamido-2-cyanoacetate (CAS 55828-02-9), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: ethyl 2-benzamido-2-cyanoacetate.
Chemical Property Profile of Ethyl 2-benzamido-2-cyanoacetate
Property Insights of Ethyl 2-benzamido-2-cyanoacetate
The XLogP value of 0.87168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-benzamido-2-cyanoacetate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-benzamido-2-cyanoacetate. Following Lipinski's Rule of Five, Ethyl 2-benzamido-2-cyanoacetate 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 2-benzamido-2-cyanoacetate?
The CAS number of Ethyl 2-benzamido-2-cyanoacetate is 55828-02-9.
What is the molecular formula of Ethyl 2-benzamido-2-cyanoacetate?
The molecular formula of Ethyl 2-benzamido-2-cyanoacetate is C12H12N2O3.
What is the molecular weight of Ethyl 2-benzamido-2-cyanoacetate?
The molecular weight of Ethyl 2-benzamido-2-cyanoacetate is 232.08 g/mol.
Where can I buy Ethyl 2-benzamido-2-cyanoacetate?
You can request a quote for Ethyl 2-benzamido-2-cyanoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-benzamido-2-cyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-benzamido-2-cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.