4-Anilino-1-methyl-3,5-diphenyl-4H-1,2,4-triazol-1-ium chloride
TL;DR: 4-Anilino-1-methyl-3,5-diphenyl-4H-1,2,4-triazol-1-ium chloride (CAS 52143-28-9) is a chemical compound with molecular formula C21H19ClN4 and molecular weight 362.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-N,3,5-triphenyl-1,2,4-triazol-4-ium-4-amine chloride
Also Known As: 1H-1,2,4-Triazolium, 3,5-diphenyl-1-methyl-4-(phenylamino)-, chloride, 3,5-Diphenyl-2-methyl-4-aminophenyl-1,2,4-triazoline hydrochloride, 4-Anilino-1-methyl-3,5-diphenyl-4H-1,2,4-triazol-1-ium chloride, 1-methyl-N,3,5-triphenyl-1,2,4-triazol-4-ium-4-amine chloride, RefChem:1070336
| Molecular Formula | C21H19ClN4 |
|---|---|
| Molecular Weight | 362.13 g/mol |
| LogP | 0.9208 |
| Topological Polar Surface Area | 33.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.12982 |
| Heavy Atoms | 26 |
| Complexity | 967.0908 |
Chemical Identifiers
| CAS Number | 52143-28-9 |
|---|---|
| SMILES | CN1C(=[N+](C(=N1)C2=CC=CC=C2)NC3=CC=CC=C3)C4=CC=CC=C4.[Cl-] |
Product Overview
4-Anilino-1-methyl-3,5-diphenyl-4H-1,2,4-triazol-1-ium chloride (CAS 52143-28-9), with molecular formula C21H19ClN4 and molecular weight 362.13 g/mol. IUPAC: 1-methyl-N,3,5-triphenyl-1,2,4-triazol-4-ium-4-amine chloride.
Chemical Property Profile of 4-Anilino-1-methyl-3,5-diphenyl-4H-1,2,4-triazol-1-ium chloride
Property Insights of 4-Anilino-1-methyl-3,5-diphenyl-4H-1,2,4-triazol-1-ium chloride
The XLogP value of 0.9208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Anilino-1-methyl-3,5-diphenyl-4H-1,2,4-triazol-1-ium chloride. With a topological polar surface area (TPSA) of 33.73 Ų, 4-Anilino-1-methyl-3,5-diphenyl-4H-1,2,4-triazol-1-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Anilino-1-methyl-3,5-diphenyl-4H-1,2,4-triazol-1-ium chloride has 1 hydrogen bond donor(s) and 2 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-Anilino-1-methyl-3,5-diphenyl-4H-1,2,4-triazol-1-ium chloride?
The CAS number of 4-Anilino-1-methyl-3,5-diphenyl-4H-1,2,4-triazol-1-ium chloride is 52143-28-9.
What is the molecular formula of 4-Anilino-1-methyl-3,5-diphenyl-4H-1,2,4-triazol-1-ium chloride?
The molecular formula of 4-Anilino-1-methyl-3,5-diphenyl-4H-1,2,4-triazol-1-ium chloride is C21H19ClN4.
What is the molecular weight of 4-Anilino-1-methyl-3,5-diphenyl-4H-1,2,4-triazol-1-ium chloride?
The molecular weight of 4-Anilino-1-methyl-3,5-diphenyl-4H-1,2,4-triazol-1-ium chloride is 362.13 g/mol.
Where can I buy 4-Anilino-1-methyl-3,5-diphenyl-4H-1,2,4-triazol-1-ium chloride?
You can request a quote for 4-Anilino-1-methyl-3,5-diphenyl-4H-1,2,4-triazol-1-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-Anilino-1-methyl-3,5-diphenyl-4H-1,2,4-triazol-1-ium chloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Anilino-1-methyl-3,5-diphenyl-4H-1,2,4-triazol-1-ium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.