C31H22N4O12S3.xNa
TL;DR: C31H22N4O12S3.xNa (CAS 84100-93-6) is a chemical compound with molecular formula C31H19N4Na3O12S3 and molecular weight 803.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;(3E)-7-[(5-hydroxy-7-sulfonatonaphthalen-2-yl)carbamoylamino]-4-oxo-3-[(6-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonate
Also Known As: EINECS 282-172-9, 2-Naphthalenesulfonic acid, 4-hydroxy-7-[[[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]carbonyl]amino]-3-[(6-sulfo-2-naphthalenyl)azo]-, trisodium salt, 2-Naphthalenesulfonic acid, 3-[(6-sulfo-2-naphthyl)azo]-7,7'-ureylenebis[4-hydroxy-, trisodium salt, 2-Naphthalenesulfonic acid, 4-hydroxy-7-((((5-hydroxy-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-((6-sulfo-2-naphthalenyl)azo)-, trisodium salt, 2-Naphthalenesulfonic acid, 4-hydroxy-7-((((5-hydroxy-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-(2-(6-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3)
| Molecular Formula | C31H19N4Na3O12S3 |
|---|---|
| Molecular Weight | 803.99 g/mol |
| LogP | -5.2867 |
| Topological Polar Surface Area | 274.42 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 803.9855 |
| Heavy Atoms | 53 |
| Complexity | 2725.3284 |
Chemical Identifiers
| CAS Number | 84100-93-6 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1N/N=C\3/C(=CC4=C(C3=O)C=CC(=C4)NC(=O)NC5=CC6=CC(=CC(=C6C=C5)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
Product Overview
C31H22N4O12S3.xNa (CAS 84100-93-6), with molecular formula C31H19N4Na3O12S3 and molecular weight 803.99 g/mol. IUPAC: trisodium;(3E)-7-[(5-hydroxy-7-sulfonatonaphthalen-2-yl)carbamoylamino]-4-oxo-3-[(6-sulfonatonaphthalen-2-yl)hydrazinylidene]naphthalene-2-sulfonate.
Chemical Property Profile of C31H22N4O12S3.xNa
Property Insights of C31H22N4O12S3.xNa
The XLogP value of -5.2867 indicates that C31H22N4O12S3.xNa is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 274.42 Ų indicates high polarity, suggesting C31H22N4O12S3.xNa may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C31H22N4O12S3.xNa has 4 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 C31H22N4O12S3.xNa?
The CAS number of C31H22N4O12S3.xNa is 84100-93-6.
What is the molecular formula of C31H22N4O12S3.xNa?
The molecular formula of C31H22N4O12S3.xNa is C31H19N4Na3O12S3.
What is the molecular weight of C31H22N4O12S3.xNa?
The molecular weight of C31H22N4O12S3.xNa is 803.99 g/mol.
Where can I buy C31H22N4O12S3.xNa?
You can request a quote for C31H22N4O12S3.xNa directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C31H22N4O12S3.xNa?
Yes, KEHONG BIO provides custom synthesis services for C31H22N4O12S3.xNa and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.