RefChem:83541
TL;DR: RefChem:83541 (CAS 72749-84-9) is a chemical compound with molecular formula C42H28N6Na4O16S4 and molecular weight 1092.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;5-benzamido-3-[[4-[(4-benzamido-2-sulfonatophenyl)diazenyl]-2-ethoxy-6-sulfonatonaphthalen-1-yl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
Also Known As: 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-((4-((4-(benzoylamino)-2-sulfophenyl)azo)-2-ethoxy-6-sulfo-1-naphthalenyl)azo)-4-hydroxy-, tetrasodium salt, 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-(2-(4-(2-(4-(benzoylamino)-2-sulfophenyl)diazenyl)-2-ethoxy-6-sulfo-1-naphthalenyl)diazenyl)-4-hydroxy-, sodium salt (1:4), 2,7-Naphthalenedisulfonic acid, 5-(benzoylamino)-3-[2-[4-[2-[4-(benzoylamino)-2-sulfophenyl]diazenyl]-2-ethoxy-6-sulfo-1-naphthalenyl]diazenyl]-4-hydroxy-, sodium salt (1:4), 2,7-Naphthalenedisulfonicacid,5-(benzoylamino)-3-[2-[4-[2-[4-(benzoylamino)-2-sulfophenyl]diazenyl]-2-ethoxy-6-sulfo-1-naphthalenyl]diazenyl]-4-hydroxy-,sodium salt (1:4), 6-Ethoxy-5-((5-benzoylamino-2,7-disulfo-4-hydroxy-3-naphthyl)azo)-8-((4-(benzoylamino)-2-sulfophenyl)azo)-2-naphthalenesulfonic acid, tetrasodium salt
| Molecular Formula | C42H28N6Na4O16S4 |
|---|---|
| Molecular Weight | 1092.00 g/mol |
| LogP | -4.9349 |
| Topological Polar Surface Area | 399.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 10 |
| Exact Mass | 1092.0035 |
| Heavy Atoms | 72 |
| Complexity | 2240.0 |
Chemical Identifiers
| CAS Number | 72749-84-9 |
|---|---|
| SMILES | CCOC1=C(C2=C(C=C(C=C2)S(=O)(=O)[O-])C(=C1)N=NC3=C(C=C(C=C3)NC(=O)C4=CC=CC=C4)S(=O)(=O)[O-])N=NC5=C(C6=C(C=C(C=C6C=C5S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C7=CC=CC=C7)O.[Na+].[Na+].[Na+].[Na+] |
| InChIKey | KRYUDSCWXSQLCB-UHFFFAOYSA-J |
Product Overview
RefChem:83541 (CAS 72749-84-9), with molecular formula C42H28N6Na4O16S4 and molecular weight 1092.00 g/mol. IUPAC: tetrasodium;5-benzamido-3-[[4-[(4-benzamido-2-sulfonatophenyl)diazenyl]-2-ethoxy-6-sulfonatonaphthalen-1-yl]diazenyl]-4-hydroxynaphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:83541
Property Insights of RefChem:83541
The XLogP value of -4.9349 indicates that RefChem:83541 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 399.0 Ų indicates high polarity, suggesting RefChem:83541 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:83541 has 3 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:83541?
The CAS number of RefChem:83541 is 72749-84-9.
What is the molecular formula of RefChem:83541?
The molecular formula of RefChem:83541 is C42H28N6Na4O16S4.
What is the molecular weight of RefChem:83541?
The molecular weight of RefChem:83541 is 1092.00 g/mol.
Where can I buy RefChem:83541?
You can request a quote for RefChem:83541 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:83541?
Yes, KEHONG BIO provides custom synthesis services for RefChem:83541 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.