![N-[2-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide structure](/static/products/631/6315-59-9.png)
N-[2-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide
TL;DR: N-[2-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide (CAS 6315-59-9) is a chemical compound with molecular formula C18H16ClFN4O2S2 and molecular weight 438.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide
Also Known As: N-[2-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide
| Molecular Formula | C18H16ClFN4O2S2 |
|---|---|
| Molecular Weight | 438.04 g/mol |
| LogP | 3.7749 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.03873 |
| Heavy Atoms | 28 |
| Complexity | 1005.1445 |
Chemical Identifiers
| CAS Number | 6315-59-9 |
|---|---|
| SMILES | CC(=O)NCCC1=NN=C(N1C2=CC=CC=C2F)SCC(=O)C3=CC=C(S3)Cl |
Product Overview
N-[2-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide (CAS 6315-59-9), with molecular formula C18H16ClFN4O2S2 and molecular weight 438.04 g/mol. IUPAC: N-[2-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide.
Chemical Property Profile of N-[2-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide
Property Insights of N-[2-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide
The XLogP value of 3.7749 indicates that N-[2-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide. Following Lipinski's Rule of Five, N-[2-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide 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 N-[2-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
The CAS number of N-[2-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide is 6315-59-9.
What is the molecular formula of N-[2-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
The molecular formula of N-[2-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide is C18H16ClFN4O2S2.
What is the molecular weight of N-[2-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
The molecular weight of N-[2-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide is 438.04 g/mol.
Where can I buy N-[2-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
You can request a quote for N-[2-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-[5-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-4-(2-fluorophenyl)-1,2,4-triazol-3-yl]ethyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.