Toluylene blue
TL;DR: Toluylene blue (CAS 97-26-7) is a chemical compound with molecular formula C15H19ClN4 and molecular weight 290.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,4-diamino-5-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride
Also Known As: Toluylene blue, Modr Toluylenova, Toluylene Blue (VAN), Toluylene Blue (biological stain), Modr Toluylenova [Czech]
| Molecular Formula | C15H19ClN4 |
|---|---|
| Molecular Weight | 290.13 g/mol |
| LogP | -0.92 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 290.12982 |
| Heavy Atoms | 20 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 97-26-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N)N)N=C2C=CC(=[N+](C)C)C=C2.[Cl-] |
| InChIKey | SRAVWPVICTXESG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Toluylene blue (CAS 97-26-7), with molecular formula C15H19ClN4 and molecular weight 290.13 g/mol. IUPAC: [4-(2,4-diamino-5-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride.
Chemical Property Profile of Toluylene blue
Property Insights of Toluylene blue
The XLogP value of -0.92 indicates that Toluylene blue is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Toluylene blue. Following Lipinski's Rule of Five, Toluylene blue has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Toluylene blue?
The CAS number of Toluylene blue is 97-26-7.
What is the molecular formula of Toluylene blue?
The molecular formula of Toluylene blue is C15H19ClN4.
What is the molecular weight of Toluylene blue?
The molecular weight of Toluylene blue is 290.13 g/mol.
Where can I buy Toluylene blue?
You can request a quote for Toluylene blue directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toluylene blue?
Yes, KEHONG BIO provides custom synthesis services for Toluylene blue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.