Cyclohexyl 2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate
TL;DR: Cyclohexyl 2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 332906-63-5) is a chemical compound with molecular formula C22H23N3O3S and molecular weight 409.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexyl 2-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: BAS 01816384, Cyclohexyl 2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate, cyclohexyl 2-[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-ylthio]acetate, cyclohexyl {[5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, Cyclohexyl2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate
| Molecular Formula | C22H23N3O3S |
|---|---|
| Molecular Weight | 409.15 g/mol |
| LogP | 4.6079 |
| Topological Polar Surface Area | 77.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.14603 |
| Heavy Atoms | 29 |
| Complexity | 951.19366 |
Chemical Identifiers
| CAS Number | 332906-63-5 |
|---|---|
| SMILES | C1CCC(CC1)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)O |
Product Overview
Cyclohexyl 2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 332906-63-5), with molecular formula C22H23N3O3S and molecular weight 409.15 g/mol. IUPAC: cyclohexyl 2-[[5-(4-hydroxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of Cyclohexyl 2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate
Property Insights of Cyclohexyl 2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate
The XLogP value of 4.6079 indicates that Cyclohexyl 2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.24 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyclohexyl 2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate. Following Lipinski's Rule of Five, Cyclohexyl 2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate has 1 hydrogen bond donor(s) and 6 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 Cyclohexyl 2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate?
The CAS number of Cyclohexyl 2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate is 332906-63-5.
What is the molecular formula of Cyclohexyl 2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular formula of Cyclohexyl 2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate is C22H23N3O3S.
What is the molecular weight of Cyclohexyl 2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular weight of Cyclohexyl 2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate is 409.15 g/mol.
Where can I buy Cyclohexyl 2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate?
You can request a quote for Cyclohexyl 2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexyl 2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexyl 2-((5-(4-hydroxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.