RefChem:72869
TL;DR: RefChem:72869 (CAS 68084-13-9) is a chemical compound with molecular formula C17H12N3Na3O9S3 and molecular weight 566.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;7-[[4-(sulfonatomethylamino)phenyl]diazenyl]naphthalene-1,3-disulfonate
Also Known As: (4-((1,3-Disulfonaphthalene-7-yl)azo)benzeneamino)methanesulfonic acid, trisodium salt, 1,3-Naphthalenedisulfonic acid, 7-((4-((sulfomethyl)amino)phenyl)azo)-, trisodium salt, 1,3-Naphthalenedisulfonic acid, 7-(2-(4-((sulfomethyl)amino)phenyl)diazenyl)-, sodium salt (1:3), 1,3-Naphthalenedisulfonic acid, 7-[[4-[(sulfomethyl)amino]phenyl]azo]-, trisodium salt, 1,3-Naphthalenedisulfonic acid, 7-[2-[4-[(sulfomethyl)amino]phenyl]diazenyl]-, sodium salt (1:3)
| Molecular Formula | C17H12N3Na3O9S3 |
|---|---|
| Molecular Weight | 566.94 g/mol |
| LogP | -7.01 |
| Topological Polar Surface Area | 233.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 566.9429 |
| Heavy Atoms | 35 |
| Complexity | 949.0 |
Chemical Identifiers
| CAS Number | 68084-13-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NCS(=O)(=O)[O-])N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | BUCCTKQQPWMCOW-UHFFFAOYSA-K |
Product Overview
RefChem:72869 (CAS 68084-13-9), with molecular formula C17H12N3Na3O9S3 and molecular weight 566.94 g/mol. IUPAC: trisodium;7-[[4-(sulfonatomethylamino)phenyl]diazenyl]naphthalene-1,3-disulfonate.
Chemical Property Profile of RefChem:72869
Property Insights of RefChem:72869
The XLogP value of -7.01 indicates that RefChem:72869 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 233.0 Ų indicates high polarity, suggesting RefChem:72869 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:72869 has 1 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:72869?
The CAS number of RefChem:72869 is 68084-13-9.
What is the molecular formula of RefChem:72869?
The molecular formula of RefChem:72869 is C17H12N3Na3O9S3.
What is the molecular weight of RefChem:72869?
The molecular weight of RefChem:72869 is 566.94 g/mol.
Where can I buy RefChem:72869?
You can request a quote for RefChem:72869 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:72869?
Yes, KEHONG BIO provides custom synthesis services for RefChem:72869 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.