Isopropyl ((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate
TL;DR: Isopropyl ((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate (CAS 577789-92-5) is a chemical compound with molecular formula C13H15ClN4O2S and molecular weight 326.06 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-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: Salor-int l467952-1ea, ISOPROPYL ((4-AMINO-5-(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETATE, Isopropyl 2-((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetate, methylethyl 2-[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-ylthio]acetate, [4-amino-5-(4-chloro-phenyl)-4h-[1,2,4]triazol-3-ylsulfanyl]-acetic acid isopropyl ester
| Molecular Formula | C13H15ClN4O2S |
|---|---|
| Molecular Weight | 326.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.06042 |
| Heavy Atoms | 21 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 577789-92-5 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=NN=C(N1N)C2=CC=C(C=C2)Cl |
| InChIKey | GFGWPDKPMZJDGQ-UHFFFAOYSA-N |
Product Overview
Isopropyl ((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate (CAS 577789-92-5), with molecular formula C13H15ClN4O2S and molecular weight 326.06 g/mol. IUPAC: propan-2-yl 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of Isopropyl ((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate
Property Insights of Isopropyl ((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate
The XLogP value of 3.0 indicates that Isopropyl ((4-amino-5-(4-chlorophenyl)-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-(4-chlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate. Following Lipinski's Rule of Five, Isopropyl ((4-amino-5-(4-chlorophenyl)-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-(4-chlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate?
The CAS number of Isopropyl ((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate is 577789-92-5.
What is the molecular formula of Isopropyl ((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate?
The molecular formula of Isopropyl ((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate is C13H15ClN4O2S.
What is the molecular weight of Isopropyl ((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate?
The molecular weight of Isopropyl ((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate is 326.06 g/mol.
Where can I buy Isopropyl ((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate?
You can request a quote for Isopropyl ((4-amino-5-(4-chlorophenyl)-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-(4-chlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl ((4-amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-YL)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.