N-(3-CL-PH)-2-((4-Ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
TL;DR: N-(3-CL-PH)-2-((4-Ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetamide (CAS 557752-85-9) is a chemical compound with molecular formula C16H15ClN4OS2 and molecular weight 378.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chlorophenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(3-Chlorophenyl)-2-((4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-chlorophenyl)-2-{[4-ethyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-CL-PH)-2-((4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE, N-(3-chlorophenyl)-2-(4-ethyl-5-(2-thienyl)(1,2,4-triazol-3-ylthio))acetamide, N-(3-chlorophenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C16H15ClN4OS2 |
|---|---|
| Molecular Weight | 378.04 g/mol |
| LogP | 4.4107 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 378.03757 |
| Heavy Atoms | 24 |
| Complexity | 832.4823 |
Chemical Identifiers
| CAS Number | 557752-85-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Cl)C3=CC=CS3 |
Product Overview
N-(3-CL-PH)-2-((4-Ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetamide (CAS 557752-85-9), with molecular formula C16H15ClN4OS2 and molecular weight 378.04 g/mol. IUPAC: N-(3-chlorophenyl)-2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(3-CL-PH)-2-((4-Ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
Property Insights of N-(3-CL-PH)-2-((4-Ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
The XLogP value of 4.4107 indicates that N-(3-CL-PH)-2-((4-Ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, N-(3-CL-PH)-2-((4-Ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-CL-PH)-2-((4-Ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetamide has 1 hydrogen bond donor(s) and 5 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 N-(3-CL-PH)-2-((4-Ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
The CAS number of N-(3-CL-PH)-2-((4-Ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is 557752-85-9.
What is the molecular formula of N-(3-CL-PH)-2-((4-Ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
The molecular formula of N-(3-CL-PH)-2-((4-Ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is C16H15ClN4OS2.
What is the molecular weight of N-(3-CL-PH)-2-((4-Ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
The molecular weight of N-(3-CL-PH)-2-((4-Ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is 378.04 g/mol.
Where can I buy N-(3-CL-PH)-2-((4-Ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
You can request a quote for N-(3-CL-PH)-2-((4-Ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-CL-PH)-2-((4-Ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-CL-PH)-2-((4-Ethyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.