RefChem:177631
TL;DR: RefChem:177631 (CAS 68922-22-5) is a chemical compound with molecular formula C24H25BrN6O6 and molecular weight 572.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-ethyl-3-methyl-N-(2-pyridin-1-ium-1-ylethyl)aniline acetate
Also Known As: Pyridinium, 1-(2-((4-((2-bromo-4,6-dinitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)-, acetate, 1-(2-((4-(4-((2-Bromo-4,6-dinitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)pyridinium, acetate, Pyridinium, 1-(2-((4-(2-(2-bromo-4,6-dinitrophenyl)diazenyl)-3-methylphenyl)ethylamino)ethyl)-, acetate (1:1), 1-{2-[{4-[(e)-(2-bromo-4,6-dinitrophenyl)diazenyl]-3-methylphenyl}(ethyl)amino]ethyl}pyridinium acetate, Pyridinium, 1-[2-[[4-[(2-bromo-4,6-dinitrophenyl)azo]-3-methylphenyl]ethylamino]ethyl]-, acetate
| Molecular Formula | C24H25BrN6O6 |
|---|---|
| Molecular Weight | 572.10 g/mol |
| LogP | 4.56 |
| Topological Polar Surface Area | 164.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 572.1019 |
| Heavy Atoms | 37 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 68922-22-5 |
|---|---|
| SMILES | CCN(CC[N+]1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=C(C=C(C=C3Br)[N+](=O)[O-])[N+](=O)[O-])C.CC(=O)[O-] |
| InChIKey | HQVSNSNIKXTHIR-UHFFFAOYSA-M |
Product Overview
RefChem:177631 (CAS 68922-22-5), with molecular formula C24H25BrN6O6 and molecular weight 572.10 g/mol. IUPAC: 4-[(2-bromo-4,6-dinitrophenyl)diazenyl]-N-ethyl-3-methyl-N-(2-pyridin-1-ium-1-ylethyl)aniline acetate.
Chemical Property Profile of RefChem:177631
Property Insights of RefChem:177631
The XLogP value of 4.56 indicates that RefChem:177631 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 164.0 Ų indicates high polarity, suggesting RefChem:177631 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:177631 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:177631?
The CAS number of RefChem:177631 is 68922-22-5.
What is the molecular formula of RefChem:177631?
The molecular formula of RefChem:177631 is C24H25BrN6O6.
What is the molecular weight of RefChem:177631?
The molecular weight of RefChem:177631 is 572.10 g/mol.
Where can I buy RefChem:177631?
You can request a quote for RefChem:177631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:177631?
Yes, KEHONG BIO provides custom synthesis services for RefChem:177631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.