Isopropyl ((4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate
TL;DR: Isopropyl ((4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate (CAS 575463-56-8) is a chemical compound with molecular formula C13H14Cl2N4O2S and molecular weight 360.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: isopropyl {[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, Isopropyl 2-((4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetate, Isopropyl ((4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate, methylethyl 2-[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-ylthio]acetate, propan-2-yl {[4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
| Molecular Formula | C13H14Cl2N4O2S |
|---|---|
| Molecular Weight | 360.02 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 360.02145 |
| Heavy Atoms | 22 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 575463-56-8 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=NN=C(N1N)C2=C(C=C(C=C2)Cl)Cl |
| InChIKey | VYHNXMJQNMAKEU-UHFFFAOYSA-N |
Product Overview
Isopropyl ((4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate (CAS 575463-56-8), with molecular formula C13H14Cl2N4O2S and molecular weight 360.02 g/mol. IUPAC: propan-2-yl 2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of Isopropyl ((4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate
Property Insights of Isopropyl ((4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate
The XLogP value of 3.7 indicates that Isopropyl ((4-amino-5-(2,4-dichlorophenyl)-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 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropyl ((4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate. Following Lipinski's Rule of Five, Isopropyl ((4-amino-5-(2,4-dichlorophenyl)-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 Isopropyl ((4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate?
The CAS number of Isopropyl ((4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate is 575463-56-8.
What is the molecular formula of Isopropyl ((4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate?
The molecular formula of Isopropyl ((4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate is C13H14Cl2N4O2S.
What is the molecular weight of Isopropyl ((4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate?
The molecular weight of Isopropyl ((4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate is 360.02 g/mol.
Where can I buy Isopropyl ((4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate?
You can request a quote for Isopropyl ((4-amino-5-(2,4-dichlorophenyl)-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-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl ((4-amino-5-(2,4-dichlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.