Toluylene Blue monohydrate
TL;DR: Toluylene Blue monohydrate (CAS 6424-34-6) is a chemical compound with molecular formula C15H21ClN4O and molecular weight 308.14 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;hydrate
Also Known As: Toluylene Blue monohydrate, TOLUYLENE BLUE 1-HYDRATE, Ammonium, (4-((4,6-diamino-m-tolyl)imino)-2,5-cyclohexadien-1-ylidene)dimethyl-, chloride, monohydrate, (4-((4,6-Diamino-m-tolyl)imino)-2,5-cyclohexadien-1-ylidene)dimethylammonium chloride H2O, [4-(2,4-diamino-5-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]-dimethylazanium chloride hydrate
| Molecular Formula | C15H21ClN4O |
|---|---|
| Molecular Weight | 308.14 g/mol |
| LogP | -1.74968 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.14038 |
| Heavy Atoms | 21 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 6424-34-6 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N)N)N=C2C=CC(=[N+](C)C)C=C2.O.[Cl-] |
| InChIKey | SBHAXIXLNVUZCC-UHFFFAOYSA-N |
Product Overview
Toluylene Blue monohydrate (CAS 6424-34-6), with molecular formula C15H21ClN4O and molecular weight 308.14 g/mol. IUPAC: [4-(2,4-diamino-5-methylphenyl)iminocyclohexa-2,5-dien-1-ylidene]-dimethylazanium;chloride;hydrate.
Chemical Property Profile of Toluylene Blue monohydrate
Property Insights of Toluylene Blue monohydrate
The XLogP value of -1.74968 indicates that Toluylene Blue monohydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Toluylene Blue monohydrate. Following Lipinski's Rule of Five, Toluylene Blue monohydrate has 3 hydrogen bond donor(s) and 5 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 monohydrate?
The CAS number of Toluylene Blue monohydrate is 6424-34-6.
What is the molecular formula of Toluylene Blue monohydrate?
The molecular formula of Toluylene Blue monohydrate is C15H21ClN4O.
What is the molecular weight of Toluylene Blue monohydrate?
The molecular weight of Toluylene Blue monohydrate is 308.14 g/mol.
Where can I buy Toluylene Blue monohydrate?
You can request a quote for Toluylene Blue monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toluylene Blue monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Toluylene Blue monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.