4-((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide
TL;DR: 4-((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide (CAS 87236-34-8) is a chemical compound with molecular formula C20H20BrN5OS and molecular weight 457.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,5-dimethyl-2-phenylpyrazol-3-one;hydrobromide
Also Known As: 4-((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide, 3H-Pyrazol-3-one, 1,2-dihydro-1,5-dimethyl-2-phenyl-4-((5-(phenylmethyl)-1H-1,2,4-triazol-3-yl)thio)-, monohydrobromide, Antipyrine, 4-((5-benzyl-4H-1,2,4-triazol-3-yl)thio)-, hydrobromide, 4-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,5-dimethyl-2-, 4-[(5-Benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one--hydrogen bromide (1/1)
| Molecular Formula | C20H20BrN5OS |
|---|---|
| Molecular Weight | 457.06 g/mol |
| LogP | 3.92242 |
| Topological Polar Surface Area | 68.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.0572 |
| Heavy Atoms | 28 |
| Complexity | 1118.7161 |
Chemical Identifiers
| CAS Number | 87236-34-8 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)SC3=NNC(=N3)CC4=CC=CC=C4.Br |
Product Overview
4-((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide (CAS 87236-34-8), with molecular formula C20H20BrN5OS and molecular weight 457.06 g/mol. IUPAC: 4-[(5-benzyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1,5-dimethyl-2-phenylpyrazol-3-one;hydrobromide.
Chemical Property Profile of 4-((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide
Property Insights of 4-((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide
The XLogP value of 3.92242 indicates that 4-((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide. Following Lipinski's Rule of Five, 4-((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide has 1 hydrogen bond donor(s) and 4 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-((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide?
The CAS number of 4-((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide is 87236-34-8.
What is the molecular formula of 4-((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide?
The molecular formula of 4-((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide is C20H20BrN5OS.
What is the molecular weight of 4-((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide?
The molecular weight of 4-((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide is 457.06 g/mol.
Where can I buy 4-((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide?
You can request a quote for 4-((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide?
Yes, KEHONG BIO provides custom synthesis services for 4-((5-Benzyl-4H-1,2,4-triazol-3-yl)thio)antipyrine hydrobromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.