![Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[4-nitro-2-[(trifluoromethyl)sulfonyl]phenyl]diazenyl]phenyl]amino]- structure](/static/products/5493/54939-18-3.webp)
Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[4-nitro-2-[(trifluoromethyl)sulfonyl]phenyl]diazenyl]phenyl]amino]-
TL;DR: Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[4-nitro-2-[(trifluoromethyl)sulfonyl]phenyl]diazenyl]phenyl]amino]- (CAS 54939-18-3) is a chemical compound with molecular formula C20H18F3N5O6S and molecular weight 513.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-(2-cyanoethyl)-4-[[4-nitro-2-(trifluoromethylsulfonyl)phenyl]diazenyl]anilino]ethyl acetate
Also Known As: Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[4-nitro-2-[(trifluoromethyl)sulfonyl]phenyl]diazenyl]phenyl]amino]-, 2-[2-cyanoethyl-[4-[4-nitro-2-(trifluoromethylsulfonyl)phenyl]diazenylphenyl]amino]ethyl Acetate, 2-[N-(2-cyanoethyl)-4-[[4-nitro-2-(trifluoromethylsulfonyl)phenyl]diazenyl]anilino]ethyl acetate
| Molecular Formula | C20H18F3N5O6S |
|---|---|
| Molecular Weight | 513.09 g/mol |
| LogP | 4.58688 |
| Topological Polar Surface Area | 155.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 513.093 |
| Heavy Atoms | 35 |
| Complexity | 1257.492 |
Chemical Identifiers
| CAS Number | 54939-18-3 |
|---|---|
| SMILES | CC(=O)OCCN(CCC#N)C1=CC=C(C=C1)N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)C(F)(F)F |
Product Overview
Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[4-nitro-2-[(trifluoromethyl)sulfonyl]phenyl]diazenyl]phenyl]amino]- (CAS 54939-18-3), with molecular formula C20H18F3N5O6S and molecular weight 513.09 g/mol. IUPAC: 2-[N-(2-cyanoethyl)-4-[[4-nitro-2-(trifluoromethylsulfonyl)phenyl]diazenyl]anilino]ethyl acetate.
Chemical Property Profile of Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[4-nitro-2-[(trifluoromethyl)sulfonyl]phenyl]diazenyl]phenyl]amino]-
Property Insights of Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[4-nitro-2-[(trifluoromethyl)sulfonyl]phenyl]diazenyl]phenyl]amino]-
The XLogP value of 4.58688 indicates that Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[4-nitro-2-[(trifluoromethyl)sulfonyl]phenyl]diazenyl]phenyl]amino]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.33 Ų indicates high polarity, suggesting Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[4-nitro-2-[(trifluoromethyl)sulfonyl]phenyl]diazenyl]phenyl]amino]- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[4-nitro-2-[(trifluoromethyl)sulfonyl]phenyl]diazenyl]phenyl]amino]- has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[4-nitro-2-[(trifluoromethyl)sulfonyl]phenyl]diazenyl]phenyl]amino]-?
The CAS number of Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[4-nitro-2-[(trifluoromethyl)sulfonyl]phenyl]diazenyl]phenyl]amino]- is 54939-18-3.
What is the molecular formula of Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[4-nitro-2-[(trifluoromethyl)sulfonyl]phenyl]diazenyl]phenyl]amino]-?
The molecular formula of Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[4-nitro-2-[(trifluoromethyl)sulfonyl]phenyl]diazenyl]phenyl]amino]- is C20H18F3N5O6S.
What is the molecular weight of Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[4-nitro-2-[(trifluoromethyl)sulfonyl]phenyl]diazenyl]phenyl]amino]-?
The molecular weight of Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[4-nitro-2-[(trifluoromethyl)sulfonyl]phenyl]diazenyl]phenyl]amino]- is 513.09 g/mol.
Where can I buy Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[4-nitro-2-[(trifluoromethyl)sulfonyl]phenyl]diazenyl]phenyl]amino]-?
You can request a quote for Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[4-nitro-2-[(trifluoromethyl)sulfonyl]phenyl]diazenyl]phenyl]amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[4-nitro-2-[(trifluoromethyl)sulfonyl]phenyl]diazenyl]phenyl]amino]-?
Yes, KEHONG BIO provides custom synthesis services for Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[2-[4-nitro-2-[(trifluoromethyl)sulfonyl]phenyl]diazenyl]phenyl]amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.