Dianil Blue 2R
TL;DR: Dianil Blue 2R (CAS 5442-09-1) is a chemical compound with molecular formula C34H23N4Na3O12S3 and molecular weight 844.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;4,5-dihydroxy-3-[[4-[4-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-2,7-disulfonate
Also Known As: Dianil Blue 2R, Direct Blue 2R, C.I. Direct Blue 31, C.I. Direct Blue 31, trisodium salt, C.I. 23690
| Molecular Formula | C34H23N4Na3O12S3 |
|---|---|
| Molecular Weight | 844.02 g/mol |
| LogP | -2.05126 |
| Topological Polar Surface Area | 307.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 5 |
| Exact Mass | 844.0168 |
| Heavy Atoms | 56 |
| Complexity | 1640.0 |
Chemical Identifiers
| CAS Number | 5442-09-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C4=C(C=C(C=C4C=C3S(=O)(=O)[O-])S(=O)(=O)[O-])O)O)C)N=NC5=C(C6=CC=CC=C6C(=C5)S(=O)(=O)[O-])O.[Na+].[Na+].[Na+] |
| InChIKey | QGYWSPFTRKORPY-UHFFFAOYSA-K |
Product Overview
Dianil Blue 2R (CAS 5442-09-1), with molecular formula C34H23N4Na3O12S3 and molecular weight 844.02 g/mol. IUPAC: trisodium;4,5-dihydroxy-3-[[4-[4-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of Dianil Blue 2R
Property Insights of Dianil Blue 2R
The XLogP value of -2.05126 indicates that Dianil Blue 2R is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 307.0 Ų indicates high polarity, suggesting Dianil Blue 2R may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dianil Blue 2R has 3 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dianil Blue 2R?
The CAS number of Dianil Blue 2R is 5442-09-1.
What is the molecular formula of Dianil Blue 2R?
The molecular formula of Dianil Blue 2R is C34H23N4Na3O12S3.
What is the molecular weight of Dianil Blue 2R?
The molecular weight of Dianil Blue 2R is 844.02 g/mol.
Where can I buy Dianil Blue 2R?
You can request a quote for Dianil Blue 2R directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dianil Blue 2R?
Yes, KEHONG BIO provides custom synthesis services for Dianil Blue 2R and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.