2-((4-((2-Cyano-3-nitrophenyl)azo)-m-tolyl)(2-cyanoethyl)amino)ethyl acetate
TL;DR: 2-((4-((2-Cyano-3-nitrophenyl)azo)-m-tolyl)(2-cyanoethyl)amino)ethyl acetate (CAS 84000-67-9) is a chemical compound with molecular formula C21H20N6O4 and molecular weight 420.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-cyanoethyl)-4-[(2-cyano-3-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetate
Also Known As: EINECS 281-623-7, 2-((4-((2-Cyano-3-nitrophenyl)azo)-m-tolyl)(2-cyanoethyl)amino)ethyl acetate, 2-[[4-[(2-CYANO-3-NITROPHENYL)AZO]-M-TOLYL](2-CYANOETHYL)AMINO]ETHYL ACETATE, 2-[N-(2-cyanoethyl)-4-[(2-cyano-3-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetate
| Molecular Formula | C21H20N6O4 |
|---|---|
| Molecular Weight | 420.15 g/mol |
| LogP | 4.47348 |
| Topological Polar Surface Area | 144.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 420.1546 |
| Heavy Atoms | 31 |
| Complexity | 1084.2532 |
Chemical Identifiers
| CAS Number | 84000-67-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N(CCC#N)CCOC(=O)C)N=NC2=C(C(=CC=C2)[N+](=O)[O-])C#N |
Product Overview
2-((4-((2-Cyano-3-nitrophenyl)azo)-m-tolyl)(2-cyanoethyl)amino)ethyl acetate (CAS 84000-67-9), with molecular formula C21H20N6O4 and molecular weight 420.15 g/mol. IUPAC: 2-[N-(2-cyanoethyl)-4-[(2-cyano-3-nitrophenyl)diazenyl]-3-methylanilino]ethyl acetate.
Chemical Property Profile of 2-((4-((2-Cyano-3-nitrophenyl)azo)-m-tolyl)(2-cyanoethyl)amino)ethyl acetate
Property Insights of 2-((4-((2-Cyano-3-nitrophenyl)azo)-m-tolyl)(2-cyanoethyl)amino)ethyl acetate
The XLogP value of 4.47348 indicates that 2-((4-((2-Cyano-3-nitrophenyl)azo)-m-tolyl)(2-cyanoethyl)amino)ethyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.98 Ų indicates high polarity, suggesting 2-((4-((2-Cyano-3-nitrophenyl)azo)-m-tolyl)(2-cyanoethyl)amino)ethyl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((4-((2-Cyano-3-nitrophenyl)azo)-m-tolyl)(2-cyanoethyl)amino)ethyl acetate has 0 hydrogen bond donor(s) and 9 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 2-((4-((2-Cyano-3-nitrophenyl)azo)-m-tolyl)(2-cyanoethyl)amino)ethyl acetate?
The CAS number of 2-((4-((2-Cyano-3-nitrophenyl)azo)-m-tolyl)(2-cyanoethyl)amino)ethyl acetate is 84000-67-9.
What is the molecular formula of 2-((4-((2-Cyano-3-nitrophenyl)azo)-m-tolyl)(2-cyanoethyl)amino)ethyl acetate?
The molecular formula of 2-((4-((2-Cyano-3-nitrophenyl)azo)-m-tolyl)(2-cyanoethyl)amino)ethyl acetate is C21H20N6O4.
What is the molecular weight of 2-((4-((2-Cyano-3-nitrophenyl)azo)-m-tolyl)(2-cyanoethyl)amino)ethyl acetate?
The molecular weight of 2-((4-((2-Cyano-3-nitrophenyl)azo)-m-tolyl)(2-cyanoethyl)amino)ethyl acetate is 420.15 g/mol.
Where can I buy 2-((4-((2-Cyano-3-nitrophenyl)azo)-m-tolyl)(2-cyanoethyl)amino)ethyl acetate?
You can request a quote for 2-((4-((2-Cyano-3-nitrophenyl)azo)-m-tolyl)(2-cyanoethyl)amino)ethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-((2-Cyano-3-nitrophenyl)azo)-m-tolyl)(2-cyanoethyl)amino)ethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-((2-Cyano-3-nitrophenyl)azo)-m-tolyl)(2-cyanoethyl)amino)ethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.