![isopropyl {[4-phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetate structure](/static/products/7122/712282-66-1.webp)
isopropyl {[4-phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetate
TL;DR: isopropyl {[4-phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetate (CAS 712282-66-1) is a chemical compound with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: CBKinase1_009266, CBKinase1_021666, BRD-K29365291-001-01-5, isopropyl {[4-phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetate, isopropyl 2-((4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetate
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 3.373 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 834.7971 |
Chemical Identifiers
| CAS Number | 712282-66-1 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=N3 |
Product Overview
isopropyl {[4-phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetate (CAS 712282-66-1), with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol. IUPAC: propan-2-yl 2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate.
Chemical Property Profile of isopropyl {[4-phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetate
Property Insights of isopropyl {[4-phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetate
The XLogP value of 3.373 indicates that isopropyl {[4-phenyl-5-(2-pyridinyl)-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 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for isopropyl {[4-phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetate. Following Lipinski's Rule of Five, isopropyl {[4-phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetate has 0 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 isopropyl {[4-phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetate?
The CAS number of isopropyl {[4-phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetate is 712282-66-1.
What is the molecular formula of isopropyl {[4-phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetate?
The molecular formula of isopropyl {[4-phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetate is C18H18N4O2S.
What is the molecular weight of isopropyl {[4-phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetate?
The molecular weight of isopropyl {[4-phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetate is 354.12 g/mol.
Where can I buy isopropyl {[4-phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetate?
You can request a quote for isopropyl {[4-phenyl-5-(2-pyridinyl)-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 isopropyl {[4-phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl {[4-phenyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.