4H-1,2,4-Triazolium, 1-phenyl-4-(phenylamino)-, chloride (1:1)
TL;DR: 4H-1,2,4-Triazolium, 1-phenyl-4-(phenylamino)-, chloride (1:1) (CAS 2084-33-5) is a chemical compound with molecular formula C14H13ClN4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,1-diphenyl-1,2,4-triazol-4-ium-4-amine chloride
Also Known As: 4-Anilino-1-phenyl-1H-1,2,4-triazolium chloride, 1H-1,2,4-Triazolium, 4-anilino-1-phenyl-, chloride, 4-Anilino-1-phenyl-1H-1,2,4-triazol-4-ium chloride, N,1-diphenyl-1,2,4-triazol-4-ium-4-amine chloride, 4H-1,2,4-Triazolium, 1-phenyl-4-(phenylamino)-, chloride (1:1)
| Molecular Formula | C14H13ClN4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | -0.961 |
| Topological Polar Surface Area | 33.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.0829 |
| Heavy Atoms | 19 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 2084-33-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N[N+]2=CN(N=C2)C3=CC=CC=C3.[Cl-] |
| InChIKey | SGHSSHMDXPVBJQ-UHFFFAOYSA-M |
Product Overview
4H-1,2,4-Triazolium, 1-phenyl-4-(phenylamino)-, chloride (1:1) (CAS 2084-33-5), with molecular formula C14H13ClN4 and molecular weight 272.08 g/mol. IUPAC: N,1-diphenyl-1,2,4-triazol-4-ium-4-amine chloride.
Chemical Property Profile of 4H-1,2,4-Triazolium, 1-phenyl-4-(phenylamino)-, chloride (1:1)
Property Insights of 4H-1,2,4-Triazolium, 1-phenyl-4-(phenylamino)-, chloride (1:1)
The XLogP value of -0.961 indicates that 4H-1,2,4-Triazolium, 1-phenyl-4-(phenylamino)-, chloride (1:1) 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, 4H-1,2,4-Triazolium, 1-phenyl-4-(phenylamino)-, chloride (1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-1,2,4-Triazolium, 1-phenyl-4-(phenylamino)-, chloride (1:1) 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 4H-1,2,4-Triazolium, 1-phenyl-4-(phenylamino)-, chloride (1:1)?
The CAS number of 4H-1,2,4-Triazolium, 1-phenyl-4-(phenylamino)-, chloride (1:1) is 2084-33-5.
What is the molecular formula of 4H-1,2,4-Triazolium, 1-phenyl-4-(phenylamino)-, chloride (1:1)?
The molecular formula of 4H-1,2,4-Triazolium, 1-phenyl-4-(phenylamino)-, chloride (1:1) is C14H13ClN4.
What is the molecular weight of 4H-1,2,4-Triazolium, 1-phenyl-4-(phenylamino)-, chloride (1:1)?
The molecular weight of 4H-1,2,4-Triazolium, 1-phenyl-4-(phenylamino)-, chloride (1:1) is 272.08 g/mol.
Where can I buy 4H-1,2,4-Triazolium, 1-phenyl-4-(phenylamino)-, chloride (1:1)?
You can request a quote for 4H-1,2,4-Triazolium, 1-phenyl-4-(phenylamino)-, chloride (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,2,4-Triazolium, 1-phenyl-4-(phenylamino)-, chloride (1:1)?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,2,4-Triazolium, 1-phenyl-4-(phenylamino)-, chloride (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.