RefChem:551744
TL;DR: RefChem:551744 (CAS 75199-19-8) is a chemical compound with molecular formula C22H25BrN6O9 and molecular weight 596.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-ethoxy-N-(2-hydroxyethyl)anilino]ethyl acetate
Also Known As: 2-[[5-ACETAMIDO-4-[(2-BROMO-4,6-DINITROPHENYL)AZO]-2-ETHOXYPHENYL](2-HYDROXYETHYL)AMINO]ETHYL ACETATE, 2-[[5-acetamido-4-[ azo]-2-ethoxyphenyl] amino]ethylacetate, Acetamide, N-(5-((2-(acetyloxy)ethyl)(2-hydroxyethyl)amino)-2-((2-bromo-4,6-dinitrophenyl)azo)-4-ethoxyphenyl)-, Acetamide, N-(5-((2-(acetyloxy)ethyl)(2-hydroxyethyl)amino)-2-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-4-ethoxyphenyl)-, N-(5-((2-(Acetyloxy)ethyl)(2-hydroxyethyl)amino)-2-((2-bromo-4,6-dinitrophenyl)azo)-4-ethoxy)phenyl)acetamide
| Molecular Formula | C22H25BrN6O9 |
|---|---|
| Molecular Weight | 596.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 596.0867 |
| Heavy Atoms | 38 |
| Complexity | 854.0 |
Chemical Identifiers
| CAS Number | 75199-19-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C(=C1)N=NC2=C(C=C(C=C2Br)[N+](=O)[O-])[N+](=O)[O-])NC(=O)C)N(CCO)CCOC(=O)C |
| InChIKey | ZWJGCRVWLUKGGM-UHFFFAOYSA-N |
Product Overview
RefChem:551744 (CAS 75199-19-8), with molecular formula C22H25BrN6O9 and molecular weight 596.09 g/mol. IUPAC: 2-[5-acetamido-4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-2-ethoxy-N-(2-hydroxyethyl)anilino]ethyl acetate.
Chemical Property Profile of RefChem:551744
Property Insights of RefChem:551744
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:551744. The TPSA of 204.0 Ų indicates high polarity, suggesting RefChem:551744 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:551744 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:551744?
The CAS number of RefChem:551744 is 75199-19-8.
What is the molecular formula of RefChem:551744?
The molecular formula of RefChem:551744 is C22H25BrN6O9.
What is the molecular weight of RefChem:551744?
The molecular weight of RefChem:551744 is 596.09 g/mol.
Where can I buy RefChem:551744?
You can request a quote for RefChem:551744 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:551744?
Yes, KEHONG BIO provides custom synthesis services for RefChem:551744 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.