1H-1,2,4-Triazolium, 4-m-toluidino-1-m-tolyl-, chloride
TL;DR: 1H-1,2,4-Triazolium, 4-m-toluidino-1-m-tolyl-, chloride (CAS 2240-97-3) 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(3-methylphenyl)-1,2,4-triazol-4-ium-4-amine chloride
Also Known As: 4-m-Toluidino-1-m-tolyl-1H-1,2,4-triazolium chloride, 1H-1,2,4-Triazolium, 4-m-toluidino-1-m-tolyl-, chloride, N,1-bis(3-methylphenyl)-1,2,4-triazol-4-ium-4-amine chloride, 4-(3-Methylanilino)-1-(3-methylphenyl)-1H-1,2,4-triazol-4-ium chloride, RefChem:1057720
| 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 | 2240-97-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N[N+]2=CN(N=C2)C3=CC=CC(=C3)C.[Cl-] |
| InChIKey | SCFIWKJHTNWKPJ-UHFFFAOYSA-M |
Product Overview
1H-1,2,4-Triazolium, 4-m-toluidino-1-m-tolyl-, chloride (CAS 2240-97-3), with molecular formula C16H17ClN4 and molecular weight 300.11 g/mol. IUPAC: N,1-bis(3-methylphenyl)-1,2,4-triazol-4-ium-4-amine chloride.
Chemical Property Profile of 1H-1,2,4-Triazolium, 4-m-toluidino-1-m-tolyl-, chloride
Property Insights of 1H-1,2,4-Triazolium, 4-m-toluidino-1-m-tolyl-, chloride
The XLogP value of -0.34416 indicates that 1H-1,2,4-Triazolium, 4-m-toluidino-1-m-tolyl-, 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, 1H-1,2,4-Triazolium, 4-m-toluidino-1-m-tolyl-, chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-1,2,4-Triazolium, 4-m-toluidino-1-m-tolyl-, 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 1H-1,2,4-Triazolium, 4-m-toluidino-1-m-tolyl-, chloride?
The CAS number of 1H-1,2,4-Triazolium, 4-m-toluidino-1-m-tolyl-, chloride is 2240-97-3.
What is the molecular formula of 1H-1,2,4-Triazolium, 4-m-toluidino-1-m-tolyl-, chloride?
The molecular formula of 1H-1,2,4-Triazolium, 4-m-toluidino-1-m-tolyl-, chloride is C16H17ClN4.
What is the molecular weight of 1H-1,2,4-Triazolium, 4-m-toluidino-1-m-tolyl-, chloride?
The molecular weight of 1H-1,2,4-Triazolium, 4-m-toluidino-1-m-tolyl-, chloride is 300.11 g/mol.
Where can I buy 1H-1,2,4-Triazolium, 4-m-toluidino-1-m-tolyl-, chloride?
You can request a quote for 1H-1,2,4-Triazolium, 4-m-toluidino-1-m-tolyl-, chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazolium, 4-m-toluidino-1-m-tolyl-, chloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazolium, 4-m-toluidino-1-m-tolyl-, chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.