N-(3-Chlorophenyl)-2-((4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
TL;DR: N-(3-Chlorophenyl)-2-((4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetamide (CAS 618413-08-4) is a chemical compound with molecular formula C16H15ClN4O2S and molecular weight 362.06 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-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: CBKinase1_003554, CBKinase1_015954, BAS 05988139, N-(3-chlorophenyl)-2-{[4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, BRD-K05180286-001-01-3
| Molecular Formula | C16H15ClN4O2S |
|---|---|
| Molecular Weight | 362.06 g/mol |
| LogP | 3.9422 |
| Topological Polar Surface Area | 72.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 362.06042 |
| Heavy Atoms | 24 |
| Complexity | 832.4823 |
Chemical Identifiers
| CAS Number | 618413-08-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)Cl)C3=CC=CO3 |
Product Overview
N-(3-Chlorophenyl)-2-((4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetamide (CAS 618413-08-4), with molecular formula C16H15ClN4O2S and molecular weight 362.06 g/mol. IUPAC: N-(3-chlorophenyl)-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(3-Chlorophenyl)-2-((4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
Property Insights of N-(3-Chlorophenyl)-2-((4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
The XLogP value of 3.9422 indicates that N-(3-Chlorophenyl)-2-((4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-Chlorophenyl)-2-((4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetamide. Following Lipinski's Rule of Five, N-(3-Chlorophenyl)-2-((4-ethyl-5-(2-furyl)-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-Chlorophenyl)-2-((4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
The CAS number of N-(3-Chlorophenyl)-2-((4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is 618413-08-4.
What is the molecular formula of N-(3-Chlorophenyl)-2-((4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
The molecular formula of N-(3-Chlorophenyl)-2-((4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is C16H15ClN4O2S.
What is the molecular weight of N-(3-Chlorophenyl)-2-((4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
The molecular weight of N-(3-Chlorophenyl)-2-((4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is 362.06 g/mol.
Where can I buy N-(3-Chlorophenyl)-2-((4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
You can request a quote for N-(3-Chlorophenyl)-2-((4-ethyl-5-(2-furyl)-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-Chlorophenyl)-2-((4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Chlorophenyl)-2-((4-ethyl-5-(2-furyl)-4H-1,2,4-triazol-3-YL)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.