Ethyl N-(3-chloro-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-beta-alaninate
TL;DR: Ethyl N-(3-chloro-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-beta-alaninate (CAS 6464-90-0) is a chemical compound with molecular formula C20H20ClN5O4 and molecular weight 429.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[3-chloro-4-[(2-cyano-4-nitrophenyl)diazenyl]-N-ethylanilino]propanoate
Also Known As: 1-Trimethylsilyloxy-2-methylcycloocten, Ethyl N-(3-chloro-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-beta-alaninate, ethyl n-(3-chloro-4-((2-cyano-4-nitrophenyl)azo)phenyl)-n-ethyl-, A-alaninate, ethyl 3-[3-chloro-4-[(2-cyano-4-nitrophenyl)diazenyl]-N-ethylanilino]propanoate
| Molecular Formula | C20H20ClN5O4 |
|---|---|
| Molecular Weight | 429.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 429.1204 |
| Heavy Atoms | 30 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 6464-90-0 |
|---|---|
| SMILES | CCN(CCC(=O)OCC)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])C#N)Cl |
| InChIKey | JLTWMENELQOLLH-UHFFFAOYSA-N |
Product Overview
Ethyl N-(3-chloro-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-beta-alaninate (CAS 6464-90-0), with molecular formula C20H20ClN5O4 and molecular weight 429.12 g/mol. IUPAC: ethyl 3-[3-chloro-4-[(2-cyano-4-nitrophenyl)diazenyl]-N-ethylanilino]propanoate.
Chemical Property Profile of Ethyl N-(3-chloro-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-beta-alaninate
Property Insights of Ethyl N-(3-chloro-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-beta-alaninate
The XLogP value of 4.6 indicates that Ethyl N-(3-chloro-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-beta-alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl N-(3-chloro-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-beta-alaninate. Following Lipinski's Rule of Five, Ethyl N-(3-chloro-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-beta-alaninate has 0 hydrogen bond donor(s) and 8 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 N-(3-chloro-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-beta-alaninate?
The CAS number of Ethyl N-(3-chloro-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-beta-alaninate is 6464-90-0.
What is the molecular formula of Ethyl N-(3-chloro-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-beta-alaninate?
The molecular formula of Ethyl N-(3-chloro-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-beta-alaninate is C20H20ClN5O4.
What is the molecular weight of Ethyl N-(3-chloro-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-beta-alaninate?
The molecular weight of Ethyl N-(3-chloro-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-beta-alaninate is 429.12 g/mol.
Where can I buy Ethyl N-(3-chloro-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-beta-alaninate?
You can request a quote for Ethyl N-(3-chloro-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-beta-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-(3-chloro-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-beta-alaninate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-(3-chloro-4-((2-cyano-4-nitrophenyl)azo)phenyl)-N-ethyl-beta-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.