RefChem:484312
TL;DR: RefChem:484312 (CAS 16596-97-7) is a chemical compound with molecular formula C41H24N8Na4O12S4 and molecular weight 1040.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;2-[4-[2-[4-[[2-methyl-4-(7-sulfonatobenzo[e]benzotriazol-2-yl)phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]benzo[e]benzotriazole-5-sulfonate
Also Known As: Hexane,1,1,1-trinitro, 2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-[4-[2-[2-methyl-4-(7-sulfo-2H-naphtho[1,2-d]triazol-2-yl)phenyl]diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-, sodium salt (1:4), Tetrasodium;2-[4-[(E)-2-[4-[[2-methyl-4-(7-sulfonatobenzo[e]benzotriazol-2-yl)phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]benzo[e]benzotriazole-5-sulfonate, tetrasodium;2-[4-[2-[4-[[2-methyl-4-(7-sulfonatobenzo[e]benzotriazol-2-yl)phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]benzo[e]benzotriazole-5-sulfonate, 2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-[4-[[2-methyl-4-(7-sulfo-2H-naphtho[1,2-d]triazol-2-yl)phenyl]azo]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-, tetrasodium salt
| Molecular Formula | C41H24N8Na4O12S4 |
|---|---|
| Molecular Weight | 1040.00 g/mol |
| LogP | -6.01258 |
| Topological Polar Surface Area | 348.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 6 |
| Exact Mass | 1039.9988 |
| Heavy Atoms | 69 |
| Complexity | 2180.0 |
Chemical Identifiers
| CAS Number | 16596-97-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N2N=C3C=CC4=C(C3=N2)C=CC(=C4)S(=O)(=O)[O-])N=NC5=CC(=C(C=C5)C=CC6=C(C=C(C=C6)N7N=C8C=C(C9=CC=CC=C9C8=N7)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | VJLOCFYWROIYIL-UHFFFAOYSA-J |
Product Overview
RefChem:484312 (CAS 16596-97-7), with molecular formula C41H24N8Na4O12S4 and molecular weight 1040.00 g/mol. IUPAC: tetrasodium;2-[4-[2-[4-[[2-methyl-4-(7-sulfonatobenzo[e]benzotriazol-2-yl)phenyl]diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]benzo[e]benzotriazole-5-sulfonate.
Chemical Property Profile of RefChem:484312
Property Insights of RefChem:484312
The XLogP value of -6.01258 indicates that RefChem:484312 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 348.0 Ų indicates high polarity, suggesting RefChem:484312 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:484312 has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:484312?
The CAS number of RefChem:484312 is 16596-97-7.
What is the molecular formula of RefChem:484312?
The molecular formula of RefChem:484312 is C41H24N8Na4O12S4.
What is the molecular weight of RefChem:484312?
The molecular weight of RefChem:484312 is 1040.00 g/mol.
Where can I buy RefChem:484312?
You can request a quote for RefChem:484312 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:484312?
Yes, KEHONG BIO provides custom synthesis services for RefChem:484312 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.