4-(2-Methylanilino)-1-(2-methylphenyl)-1H-1,2,4-triazol-4-ium chloride
TL;DR: 4-(2-Methylanilino)-1-(2-methylphenyl)-1H-1,2,4-triazol-4-ium chloride (CAS 2240-96-2) is a chemical compound with molecular formula C16H17ClN4 and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,1-bis(2-methylphenyl)-1,2,4-triazol-4-ium-4-amine chloride
Also Known As: 4-o-Toluidino-1-o-tolyl-1H-1,2,4-triazolium chloride, 1H-1,2,4-Triazolium, 4-o-toluidino-1-o-tolyl-, chloride, 4-(2-Methylanilino)-1-(2-methylphenyl)-1H-1,2,4-triazol-4-ium chloride, N,1-bis(2-methylphenyl)-1,2,4-triazol-4-ium-4-amine chloride, RefChem:1069837
| Molecular Formula | C16H17ClN4 |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | -0.34416 |
| Topological Polar Surface Area | 33.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.11417 |
| Heavy Atoms | 21 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 2240-96-2 |
|---|---|
| SMILES | CC1=CC=CC=C1N[N+]2=CN(N=C2)C3=CC=CC=C3C.[Cl-] |
| InChIKey | WMQJIIMSHONDHI-UHFFFAOYSA-M |
Product Overview
4-(2-Methylanilino)-1-(2-methylphenyl)-1H-1,2,4-triazol-4-ium chloride (CAS 2240-96-2), with molecular formula C16H17ClN4 and molecular weight 300.11 g/mol. IUPAC: N,1-bis(2-methylphenyl)-1,2,4-triazol-4-ium-4-amine chloride.
Chemical Property Profile of 4-(2-Methylanilino)-1-(2-methylphenyl)-1H-1,2,4-triazol-4-ium chloride
Property Insights of 4-(2-Methylanilino)-1-(2-methylphenyl)-1H-1,2,4-triazol-4-ium chloride
The XLogP value of -0.34416 indicates that 4-(2-Methylanilino)-1-(2-methylphenyl)-1H-1,2,4-triazol-4-ium chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.7 Ų, 4-(2-Methylanilino)-1-(2-methylphenyl)-1H-1,2,4-triazol-4-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Methylanilino)-1-(2-methylphenyl)-1H-1,2,4-triazol-4-ium chloride has 1 hydrogen bond donor(s) and 3 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 4-(2-Methylanilino)-1-(2-methylphenyl)-1H-1,2,4-triazol-4-ium chloride?
The CAS number of 4-(2-Methylanilino)-1-(2-methylphenyl)-1H-1,2,4-triazol-4-ium chloride is 2240-96-2.
What is the molecular formula of 4-(2-Methylanilino)-1-(2-methylphenyl)-1H-1,2,4-triazol-4-ium chloride?
The molecular formula of 4-(2-Methylanilino)-1-(2-methylphenyl)-1H-1,2,4-triazol-4-ium chloride is C16H17ClN4.
What is the molecular weight of 4-(2-Methylanilino)-1-(2-methylphenyl)-1H-1,2,4-triazol-4-ium chloride?
The molecular weight of 4-(2-Methylanilino)-1-(2-methylphenyl)-1H-1,2,4-triazol-4-ium chloride is 300.11 g/mol.
Where can I buy 4-(2-Methylanilino)-1-(2-methylphenyl)-1H-1,2,4-triazol-4-ium chloride?
You can request a quote for 4-(2-Methylanilino)-1-(2-methylphenyl)-1H-1,2,4-triazol-4-ium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Methylanilino)-1-(2-methylphenyl)-1H-1,2,4-triazol-4-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Methylanilino)-1-(2-methylphenyl)-1H-1,2,4-triazol-4-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.