RefChem:566189
TL;DR: RefChem:566189 (CAS 94458-05-6) is a chemical compound with molecular formula C22H24BrN5O4 and molecular weight 501.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-N-butyl-3-methylanilino]ethyl acetate
Also Known As: amino{[(4-chlorobenzylidene)amino]oxy}methanone, 2-[[4-[azo]-3-methylphenyl]butylamino]ethylacetate, Benzonitrile, 2-[[4-[[2-(acetyloxy)ethyl]butylamino]-2-methylphenyl]azo]-3-bromo-5-nitro-, N-(2-Acetoxyethyl)-4-((2-bromo-6-cyano-4-nitrophenyl)azo)-N-butyl-3-methylbenzeneamine, 2-((4-((5-Bromo-2-cyano-3-nitrophenyl)azo)-3-methylphenyl)butylamino)ethyl acetate
| Molecular Formula | C22H24BrN5O4 |
|---|---|
| Molecular Weight | 501.10 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 501.10117 |
| Heavy Atoms | 32 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 94458-05-6 |
|---|---|
| SMILES | CCCCN(CCOC(=O)C)C1=CC(=C(C=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])C#N)C |
| InChIKey | MEJVRNGBUURVPB-UHFFFAOYSA-N |
Product Overview
RefChem:566189 (CAS 94458-05-6), with molecular formula C22H24BrN5O4 and molecular weight 501.10 g/mol. IUPAC: 2-[4-[(2-bromo-6-cyano-4-nitrophenyl)diazenyl]-N-butyl-3-methylanilino]ethyl acetate.
Chemical Property Profile of RefChem:566189
Property Insights of RefChem:566189
The XLogP value of 5.6 indicates that RefChem:566189 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 RefChem:566189. Following Lipinski's Rule of Five, RefChem:566189 has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:566189?
The CAS number of RefChem:566189 is 94458-05-6.
What is the molecular formula of RefChem:566189?
The molecular formula of RefChem:566189 is C22H24BrN5O4.
What is the molecular weight of RefChem:566189?
The molecular weight of RefChem:566189 is 501.10 g/mol.
Where can I buy RefChem:566189?
You can request a quote for RefChem:566189 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:566189?
Yes, KEHONG BIO provides custom synthesis services for RefChem:566189 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.