RefChem:117815
TL;DR: RefChem:117815 (CAS 68959-04-6) is a chemical compound with molecular formula C26H21KN4O8S2 and molecular weight 620.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
potassium 2-[4-[[3-methyl-4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]anilino]-5-nitrobenzenesulfonate
Also Known As: Potassium 2-(4-((3-methyl-4-(((p-tolyl)sulphonyl)oxy)phenyl)azo)anilino)-5-nitrobenzenesulphonate, Benzenesulfonic acid, 2-((4-((3-methyl-4-(((4-methylphenyl)sulfonyl)oxy)phenyl)azo)phenyl)amino)-5-nitro-, monopotassium salt, Benzenesulfonic acid, 2-((4-(2-(3-methyl-4-(((4-methylphenyl)sulfonyl)oxy)phenyl)diazenyl)phenyl)amino)-5-nitro-, potassium salt (1:1), Benzenesulfonic acid, 2-[[4-[[3-methyl-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo]phenyl]amino]-5-nitro-, monopotassium salt, Benzenesulfonic acid, 2-[[4-[2-[3-methyl-4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]diazenyl]phenyl]amino]-5-nitro-, potassium salt (1:1)
| Molecular Formula | C26H21KN4O8S2 |
|---|---|
| Molecular Weight | 620.04 g/mol |
| LogP | 3.05 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 620.04376 |
| Heavy Atoms | 41 |
| Complexity | 1070.0 |
Chemical Identifiers
| CAS Number | 68959-04-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C=C2)N=NC3=CC=C(C=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)[O-])C.[K+] |
| InChIKey | IVLZNARCQOGMCE-UHFFFAOYSA-M |
Product Overview
RefChem:117815 (CAS 68959-04-6), with molecular formula C26H21KN4O8S2 and molecular weight 620.04 g/mol. IUPAC: potassium 2-[4-[[3-methyl-4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]anilino]-5-nitrobenzenesulfonate.
Chemical Property Profile of RefChem:117815
Property Insights of RefChem:117815
The XLogP value of 3.05 indicates that RefChem:117815 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 200.0 Ų indicates high polarity, suggesting RefChem:117815 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117815 has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117815?
The CAS number of RefChem:117815 is 68959-04-6.
What is the molecular formula of RefChem:117815?
The molecular formula of RefChem:117815 is C26H21KN4O8S2.
What is the molecular weight of RefChem:117815?
The molecular weight of RefChem:117815 is 620.04 g/mol.
Where can I buy RefChem:117815?
You can request a quote for RefChem:117815 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117815?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117815 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.