RefChem:72871
TL;DR: RefChem:72871 (CAS 68084-12-8) is a chemical compound with molecular formula C24H18N5Na3O9S3 and molecular weight 685.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;7-[[4-[[2-methyl-4-(sulfonatomethylamino)phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate
Also Known As: 1,3-Naphthalenedisulfonic acid, 7-((4-((2-methyl-4-((sulfomethyl)amino)phenyl)azo)phenyl)azo)-, trisodium salt, 1,3-Naphthalenedisulfonic acid, 7-(2-(4-(2-(2-methyl-4-((sulfomethyl)amino)phenyl)diazenyl)phenyl)diazenyl)-, sodium salt (1:3), trisodium 7-[(e)-{4-[(e)-{2-methyl-4-[(sulfonatomethyl)amino]phenyl}diazenyl]phenyl}diazenyl]naphthalene-1,3-disulfonate, 1,3-Naphthalenedisulfonic acid, 7-[[4-[[2-methyl-4-[(sulfomethyl)amino]phenyl]azo]phenyl]azo]-, trisodium salt, 1,3-Naphthalenedisulfonic acid, 7-[2-[4-[2-[2-methyl-4-[(sulfomethyl)amino]phenyl]diazenyl]phenyl]diazenyl]-, sodium salt (1:3)
| Molecular Formula | C24H18N5Na3O9S3 |
|---|---|
| Molecular Weight | 685.00 g/mol |
| LogP | -4.29 |
| Topological Polar Surface Area | 258.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 684.996 |
| Heavy Atoms | 44 |
| Complexity | 1230.0 |
Chemical Identifiers
| CAS Number | 68084-12-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NCS(=O)(=O)[O-])N=NC2=CC=C(C=C2)N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | UZJORLYSHGJKKO-UHFFFAOYSA-K |
Product Overview
RefChem:72871 (CAS 68084-12-8), with molecular formula C24H18N5Na3O9S3 and molecular weight 685.00 g/mol. IUPAC: trisodium;7-[[4-[[2-methyl-4-(sulfonatomethylamino)phenyl]diazenyl]phenyl]diazenyl]naphthalene-1,3-disulfonate.
Chemical Property Profile of RefChem:72871
Property Insights of RefChem:72871
The XLogP value of -4.29 indicates that RefChem:72871 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 258.0 Ų indicates high polarity, suggesting RefChem:72871 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:72871 has 1 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:72871?
The CAS number of RefChem:72871 is 68084-12-8.
What is the molecular formula of RefChem:72871?
The molecular formula of RefChem:72871 is C24H18N5Na3O9S3.
What is the molecular weight of RefChem:72871?
The molecular weight of RefChem:72871 is 685.00 g/mol.
Where can I buy RefChem:72871?
You can request a quote for RefChem:72871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:72871?
Yes, KEHONG BIO provides custom synthesis services for RefChem:72871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.