Ethyl 4-((4-((2-cyanoethyl)(2-hydroxyethyl)amino)phenyl)azo)-3-nitrobenzoate
TL;DR: Ethyl 4-((4-((2-cyanoethyl)(2-hydroxyethyl)amino)phenyl)azo)-3-nitrobenzoate (CAS 81367-79-5) is a chemical compound with molecular formula C20H21N5O5 and molecular weight 411.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]phenyl]diazenyl]-3-nitrobenzoate
Also Known As: EINECS 279-748-7, ethyl4-[[4-[ amino]phenyl]azo]-3-nitrobenzoate, ethyl4-[[4-[ amino]phenyl]azo]-3-nitrobenzoate, Ethyl 4-((4-((2-cyanoethyl)(2-hydroxyethyl)amino)phenyl)azo)-3-nitrobenzoate, ETHYL 4-[[4-[(2-CYANOETHYL)(2-HYDROXYETHYL)AMINO]PHENYL]AZO]-3-NITROBENZOATE
| Molecular Formula | C20H21N5O5 |
|---|---|
| Molecular Weight | 411.15 g/mol |
| LogP | 3.89928 |
| Topological Polar Surface Area | 141.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 411.15427 |
| Heavy Atoms | 30 |
| Complexity | 953.0498 |
Chemical Identifiers
| CAS Number | 81367-79-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)N(CCC#N)CCO)[N+](=O)[O-] |
Product Overview
Ethyl 4-((4-((2-cyanoethyl)(2-hydroxyethyl)amino)phenyl)azo)-3-nitrobenzoate (CAS 81367-79-5), with molecular formula C20H21N5O5 and molecular weight 411.15 g/mol. IUPAC: ethyl 4-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]phenyl]diazenyl]-3-nitrobenzoate.
Chemical Property Profile of Ethyl 4-((4-((2-cyanoethyl)(2-hydroxyethyl)amino)phenyl)azo)-3-nitrobenzoate
Property Insights of Ethyl 4-((4-((2-cyanoethyl)(2-hydroxyethyl)amino)phenyl)azo)-3-nitrobenzoate
The XLogP value of 3.89928 indicates that Ethyl 4-((4-((2-cyanoethyl)(2-hydroxyethyl)amino)phenyl)azo)-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.42 Ų indicates high polarity, suggesting Ethyl 4-((4-((2-cyanoethyl)(2-hydroxyethyl)amino)phenyl)azo)-3-nitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ethyl 4-((4-((2-cyanoethyl)(2-hydroxyethyl)amino)phenyl)azo)-3-nitrobenzoate has 1 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 Ethyl 4-((4-((2-cyanoethyl)(2-hydroxyethyl)amino)phenyl)azo)-3-nitrobenzoate?
The CAS number of Ethyl 4-((4-((2-cyanoethyl)(2-hydroxyethyl)amino)phenyl)azo)-3-nitrobenzoate is 81367-79-5.
What is the molecular formula of Ethyl 4-((4-((2-cyanoethyl)(2-hydroxyethyl)amino)phenyl)azo)-3-nitrobenzoate?
The molecular formula of Ethyl 4-((4-((2-cyanoethyl)(2-hydroxyethyl)amino)phenyl)azo)-3-nitrobenzoate is C20H21N5O5.
What is the molecular weight of Ethyl 4-((4-((2-cyanoethyl)(2-hydroxyethyl)amino)phenyl)azo)-3-nitrobenzoate?
The molecular weight of Ethyl 4-((4-((2-cyanoethyl)(2-hydroxyethyl)amino)phenyl)azo)-3-nitrobenzoate is 411.15 g/mol.
Where can I buy Ethyl 4-((4-((2-cyanoethyl)(2-hydroxyethyl)amino)phenyl)azo)-3-nitrobenzoate?
You can request a quote for Ethyl 4-((4-((2-cyanoethyl)(2-hydroxyethyl)amino)phenyl)azo)-3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-((4-((2-cyanoethyl)(2-hydroxyethyl)amino)phenyl)azo)-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-((4-((2-cyanoethyl)(2-hydroxyethyl)amino)phenyl)azo)-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.