Phenol, 2-(5-(ethylthio)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)-
TL;DR: Phenol, 2-(5-(ethylthio)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)- (CAS 81518-44-7) is a chemical compound with molecular formula C17H17N3OS and molecular weight 311.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-ethylsulfanyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]phenol
Also Known As: 2-(5- -4- phenol, 2-(5-(Ethylthio)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)phenol, Phenol, 2-(5-(ethylthio)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)-, (6Z)-6-[3-ethylsulfanyl-4-(2-methylphenyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one, (6Z)-6-[5-(Ethylsulfanyl)-4-(2-methylphenyl)-2,4-dihydro-3H-1,2,4 -triazol-3-ylidene]-2,4-cyclohexadien-1-one
| Molecular Formula | C17H17N3OS |
|---|---|
| Molecular Weight | 311.11 g/mol |
| LogP | 4.06032 |
| Topological Polar Surface Area | 50.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.10922 |
| Heavy Atoms | 22 |
| Complexity | 798.1031 |
Chemical Identifiers
| CAS Number | 81518-44-7 |
|---|---|
| SMILES | CCSC1=NN=C(N1C2=CC=CC=C2C)C3=CC=CC=C3O |
Product Overview
Phenol, 2-(5-(ethylthio)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)- (CAS 81518-44-7), with molecular formula C17H17N3OS and molecular weight 311.11 g/mol. IUPAC: 2-[5-ethylsulfanyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]phenol.
Chemical Property Profile of Phenol, 2-(5-(ethylthio)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)-
Property Insights of Phenol, 2-(5-(ethylthio)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)-
The XLogP value of 4.06032 indicates that Phenol, 2-(5-(ethylthio)-4-(2-methylphenyl)-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-(ethylthio)-4-(2-methylphenyl)-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-(ethylthio)-4-(2-methylphenyl)-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-(ethylthio)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)-?
The CAS number of Phenol, 2-(5-(ethylthio)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)- is 81518-44-7.
What is the molecular formula of Phenol, 2-(5-(ethylthio)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)-?
The molecular formula of Phenol, 2-(5-(ethylthio)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)- is C17H17N3OS.
What is the molecular weight of Phenol, 2-(5-(ethylthio)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)-?
The molecular weight of Phenol, 2-(5-(ethylthio)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)- is 311.11 g/mol.
Where can I buy Phenol, 2-(5-(ethylthio)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)-?
You can request a quote for Phenol, 2-(5-(ethylthio)-4-(2-methylphenyl)-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-(ethylthio)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2-(5-(ethylthio)-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.