![2-{5-[(2-hydroxyethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenol structure](/static/products/831/831214-77-8.png)
2-{5-[(2-hydroxyethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenol
TL;DR: 2-{5-[(2-hydroxyethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenol (CAS 831214-77-8) is a chemical compound with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-(2-hydroxyethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]phenol
Also Known As: CBKinase1_012310, CBKinase1_024710, J2.642.958G, BRD-K44654728-001-01-6, 2-(5-((2-hydroxyethyl)thio)-4-phenyl-4H-1,2,4-triazol-3-yl)phenol
| Molecular Formula | C16H15N3O2S |
|---|---|
| Molecular Weight | 313.09 g/mol |
| LogP | 2.7243 |
| Topological Polar Surface Area | 71.17 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.0885 |
| Heavy Atoms | 22 |
| Complexity | 759.0923 |
Chemical Identifiers
| CAS Number | 831214-77-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCCO)C3=CC=CC=C3O |
Product Overview
2-{5-[(2-hydroxyethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenol (CAS 831214-77-8), with molecular formula C16H15N3O2S and molecular weight 313.09 g/mol. IUPAC: 2-[5-(2-hydroxyethylsulfanyl)-4-phenyl-1,2,4-triazol-3-yl]phenol.
Chemical Property Profile of 2-{5-[(2-hydroxyethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenol
Property Insights of 2-{5-[(2-hydroxyethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenol
The XLogP value of 2.7243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{5-[(2-hydroxyethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenol. The TPSA of 71.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{5-[(2-hydroxyethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenol. Following Lipinski's Rule of Five, 2-{5-[(2-hydroxyethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenol has 2 hydrogen bond donor(s) and 5 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 2-{5-[(2-hydroxyethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenol?
The CAS number of 2-{5-[(2-hydroxyethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenol is 831214-77-8.
What is the molecular formula of 2-{5-[(2-hydroxyethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenol?
The molecular formula of 2-{5-[(2-hydroxyethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenol is C16H15N3O2S.
What is the molecular weight of 2-{5-[(2-hydroxyethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenol?
The molecular weight of 2-{5-[(2-hydroxyethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenol is 313.09 g/mol.
Where can I buy 2-{5-[(2-hydroxyethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenol?
You can request a quote for 2-{5-[(2-hydroxyethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{5-[(2-hydroxyethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-{5-[(2-hydroxyethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.