Phenol, 2-(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)-
TL;DR: Phenol, 2-(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)- (CAS 81518-33-4) is a chemical compound with molecular formula C15H13N3OS and molecular weight 283.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)phenol
Also Known As: BAS 07330925, 2-(5-(Methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol, Phenol, 2-(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)-, 2-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)phenol, 2-[5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl]phenol
| Molecular Formula | C15H13N3OS |
|---|---|
| Molecular Weight | 283.08 g/mol |
| LogP | 3.3618 |
| Topological Polar Surface Area | 50.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.07794 |
| Heavy Atoms | 20 |
| Complexity | 724.9934 |
Chemical Identifiers
| CAS Number | 81518-33-4 |
|---|---|
| SMILES | CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3O |
Product Overview
Phenol, 2-(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)- (CAS 81518-33-4), with molecular formula C15H13N3OS and molecular weight 283.08 g/mol. IUPAC: 2-(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)phenol.
Chemical Property Profile of Phenol, 2-(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)-
Property Insights of Phenol, 2-(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)-
The XLogP value of 3.3618 indicates that Phenol, 2-(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.94 Ų, Phenol, 2-(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 2-(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)- 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 Phenol, 2-(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)-?
The CAS number of Phenol, 2-(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)- is 81518-33-4.
What is the molecular formula of Phenol, 2-(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)-?
The molecular formula of Phenol, 2-(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)- is C15H13N3OS.
What is the molecular weight of Phenol, 2-(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)-?
The molecular weight of Phenol, 2-(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)- is 283.08 g/mol.
Where can I buy Phenol, 2-(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)-?
You can request a quote for Phenol, 2-(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2-(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2-(5-(methylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.