Isopropyl 2-((5-(((4-chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetate
TL;DR: Isopropyl 2-((5-(((4-chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 482652-69-7) is a chemical compound with molecular formula C16H21ClN4O2S and molecular weight 368.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[[5-[(4-chloroanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: Isopropyl 2-((5-(((4-chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetate, BAS 02138640, propan-2-yl 2-[[5-[(4-chloroanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate, {5-[(4-Chloro-phenylamino)-methyl]-4-ethyl-4H-[1,2,4]triazol-3-ylsulfanyl}-acetic acid isopropyl ester, isopropyl ({5-[(4-chloroanilino)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
| Molecular Formula | C16H21ClN4O2S |
|---|---|
| Molecular Weight | 368.11 g/mol |
| LogP | 3.6072 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 368.10736 |
| Heavy Atoms | 24 |
| Complexity | 673.217 |
Chemical Identifiers
| CAS Number | 482652-69-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)OC(C)C)CNC2=CC=C(C=C2)Cl |
Product Overview
Isopropyl 2-((5-(((4-chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 482652-69-7), with molecular formula C16H21ClN4O2S and molecular weight 368.11 g/mol. IUPAC: propan-2-yl 2-[[5-[(4-chloroanilino)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of Isopropyl 2-((5-(((4-chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetate
Property Insights of Isopropyl 2-((5-(((4-chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetate
The XLogP value of 3.6072 indicates that Isopropyl 2-((5-(((4-chlorophenyl)amino)methyl)-4-ethyl-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 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for Isopropyl 2-((5-(((4-chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetate. Following Lipinski's Rule of Five, Isopropyl 2-((5-(((4-chlorophenyl)amino)methyl)-4-ethyl-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 2-((5-(((4-chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetate?
The CAS number of Isopropyl 2-((5-(((4-chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetate is 482652-69-7.
What is the molecular formula of Isopropyl 2-((5-(((4-chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular formula of Isopropyl 2-((5-(((4-chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetate is C16H21ClN4O2S.
What is the molecular weight of Isopropyl 2-((5-(((4-chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular weight of Isopropyl 2-((5-(((4-chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetate is 368.11 g/mol.
Where can I buy Isopropyl 2-((5-(((4-chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetate?
You can request a quote for Isopropyl 2-((5-(((4-chlorophenyl)amino)methyl)-4-ethyl-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 2-((5-(((4-chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-((5-(((4-chlorophenyl)amino)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.