Phenol, 2-(4-(4-bromophenyl)-5-(ethylthio)-4H-1,2,4-triazol-3-yl)-
TL;DR: Phenol, 2-(4-(4-bromophenyl)-5-(ethylthio)-4H-1,2,4-triazol-3-yl)- (CAS 81518-39-0) is a chemical compound with molecular formula C16H14BrN3OS and molecular weight 375.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-bromophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]phenol
Also Known As: 2-(4-(4-Bromophenyl)-5-(ethylthio)-4H-1,2,4-triazol-3-yl)phenol, Phenol, 2-(4-(4-bromophenyl)-5-(ethylthio)-4H-1,2,4-triazol-3-yl)-, (6Z)-6-[4-(4-bromophenyl)-3-ethylsulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one, RefChem:1094821, BRN 5111155
| Molecular Formula | C16H14BrN3OS |
|---|---|
| Molecular Weight | 375.00 g/mol |
| LogP | 4.5144 |
| Topological Polar Surface Area | 50.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 375.0041 |
| Heavy Atoms | 22 |
| Complexity | 786.33997 |
Chemical Identifiers
| CAS Number | 81518-39-0 |
|---|---|
| SMILES | CCSC1=NN=C(N1C2=CC=C(C=C2)Br)C3=CC=CC=C3O |
Product Overview
Phenol, 2-(4-(4-bromophenyl)-5-(ethylthio)-4H-1,2,4-triazol-3-yl)- (CAS 81518-39-0), with molecular formula C16H14BrN3OS and molecular weight 375.00 g/mol. IUPAC: 2-[4-(4-bromophenyl)-5-ethylsulfanyl-1,2,4-triazol-3-yl]phenol.
Chemical Property Profile of Phenol, 2-(4-(4-bromophenyl)-5-(ethylthio)-4H-1,2,4-triazol-3-yl)-
Property Insights of Phenol, 2-(4-(4-bromophenyl)-5-(ethylthio)-4H-1,2,4-triazol-3-yl)-
The XLogP value of 4.5144 indicates that Phenol, 2-(4-(4-bromophenyl)-5-(ethylthio)-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-(4-(4-bromophenyl)-5-(ethylthio)-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-(4-(4-bromophenyl)-5-(ethylthio)-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-(4-(4-bromophenyl)-5-(ethylthio)-4H-1,2,4-triazol-3-yl)-?
The CAS number of Phenol, 2-(4-(4-bromophenyl)-5-(ethylthio)-4H-1,2,4-triazol-3-yl)- is 81518-39-0.
What is the molecular formula of Phenol, 2-(4-(4-bromophenyl)-5-(ethylthio)-4H-1,2,4-triazol-3-yl)-?
The molecular formula of Phenol, 2-(4-(4-bromophenyl)-5-(ethylthio)-4H-1,2,4-triazol-3-yl)- is C16H14BrN3OS.
What is the molecular weight of Phenol, 2-(4-(4-bromophenyl)-5-(ethylthio)-4H-1,2,4-triazol-3-yl)-?
The molecular weight of Phenol, 2-(4-(4-bromophenyl)-5-(ethylthio)-4H-1,2,4-triazol-3-yl)- is 375.00 g/mol.
Where can I buy Phenol, 2-(4-(4-bromophenyl)-5-(ethylthio)-4H-1,2,4-triazol-3-yl)-?
You can request a quote for Phenol, 2-(4-(4-bromophenyl)-5-(ethylthio)-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-(4-(4-bromophenyl)-5-(ethylthio)-4H-1,2,4-triazol-3-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2-(4-(4-bromophenyl)-5-(ethylthio)-4H-1,2,4-triazol-3-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.