Ethyl 3-nitrilo-n-oxoalaninate
TL;DR: Ethyl 3-nitrilo-n-oxoalaninate (CAS 5457-25-0) is a chemical compound with molecular formula C5H6N2O3 and molecular weight 142.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-nitrosoacetate
Also Known As: ethyl 3-nitrilo-n-oxoalaninate, ethyl 2-cyano-2-nitrosoacetate, Acetic acid, 2-cyano-2-nitroso-, ethyl ester
| Molecular Formula | C5H6N2O3 |
|---|---|
| Molecular Weight | 142.04 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 79.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.03784 |
| Heavy Atoms | 10 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 5457-25-0 |
|---|---|
| SMILES | CCOC(=O)C(C#N)N=O |
| InChIKey | TVFCFJLTGCCYOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-nitrilo-n-oxoalaninate (CAS 5457-25-0), with molecular formula C5H6N2O3 and molecular weight 142.04 g/mol. IUPAC: ethyl 2-cyano-2-nitrosoacetate.
Chemical Property Profile of Ethyl 3-nitrilo-n-oxoalaninate
Property Insights of Ethyl 3-nitrilo-n-oxoalaninate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-nitrilo-n-oxoalaninate. The TPSA of 79.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-nitrilo-n-oxoalaninate. Following Lipinski's Rule of Five, Ethyl 3-nitrilo-n-oxoalaninate has 0 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-nitrilo-n-oxoalaninate?
The CAS number of Ethyl 3-nitrilo-n-oxoalaninate is 5457-25-0.
What is the molecular formula of Ethyl 3-nitrilo-n-oxoalaninate?
The molecular formula of Ethyl 3-nitrilo-n-oxoalaninate is C5H6N2O3.
What is the molecular weight of Ethyl 3-nitrilo-n-oxoalaninate?
The molecular weight of Ethyl 3-nitrilo-n-oxoalaninate is 142.04 g/mol.
Where can I buy Ethyl 3-nitrilo-n-oxoalaninate?
You can request a quote for Ethyl 3-nitrilo-n-oxoalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-nitrilo-n-oxoalaninate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-nitrilo-n-oxoalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.