RefChem:177627
TL;DR: RefChem:177627 (CAS 70660-58-1) is a chemical compound with molecular formula C22H23Cl2N5O6S and molecular weight 555.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methyl-N-(2-pyridin-1-ium-1-ylethyl)aniline;hydrogen sulfate
Also Known As: 1-(2-((4-((2,6-Dichloro-4-nitrophenyl)azo)-m-tolyl)ethylamino)ethyl)pyridinium hydrogen sulphate, Pyridinium, 1-(2-((4-((2,6-dichloro-4-nitrophenyl)azo)-3-methylphenyl)ethylamino)ethyl)-, sulfate (1:1), Pyridinium, 1-(2-((4-(2-(2,6-dichloro-4-nitrophenyl)diazenyl)-3-methylphenyl)ethylamino)ethyl)-, sulfate (1:1), 1-[2-[[4-[ azo]-m-tolyl]ethylamino]ethyl]pyridiniumhydrogensulphate, 1-[2-[[4-[azo]-m-tolyl]ethylamino]ethyl]pyridiniumhydrogensulphate
| Molecular Formula | C22H23Cl2N5O6S |
|---|---|
| Molecular Weight | 555.07 g/mol |
| LogP | 5.44 |
| Topological Polar Surface Area | 163.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 555.0746 |
| Heavy Atoms | 36 |
| Complexity | 663.0 |
Chemical Identifiers
| CAS Number | 70660-58-1 |
|---|---|
| SMILES | CCN(CC[N+]1=CC=CC=C1)C2=CC(=C(C=C2)N=NC3=C(C=C(C=C3Cl)[N+](=O)[O-])Cl)C.OS(=O)(=O)[O-] |
| InChIKey | CETWZRFHWSAAFL-UHFFFAOYSA-M |
Product Overview
RefChem:177627 (CAS 70660-58-1), with molecular formula C22H23Cl2N5O6S and molecular weight 555.07 g/mol. IUPAC: 4-[(2,6-dichloro-4-nitrophenyl)diazenyl]-N-ethyl-3-methyl-N-(2-pyridin-1-ium-1-ylethyl)aniline;hydrogen sulfate.
Chemical Property Profile of RefChem:177627
Property Insights of RefChem:177627
The XLogP value of 5.44 indicates that RefChem:177627 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting RefChem:177627 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:177627 has 1 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:177627?
The CAS number of RefChem:177627 is 70660-58-1.
What is the molecular formula of RefChem:177627?
The molecular formula of RefChem:177627 is C22H23Cl2N5O6S.
What is the molecular weight of RefChem:177627?
The molecular weight of RefChem:177627 is 555.07 g/mol.
Where can I buy RefChem:177627?
You can request a quote for RefChem:177627 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:177627?
Yes, KEHONG BIO provides custom synthesis services for RefChem:177627 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.