![N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-{[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/6945/694501-92-3.webp)
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-{[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-{[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 694501-92-3) is a chemical compound with molecular formula C23H22BrN5O2S2 and molecular weight 543.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[[4-ethyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-{[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[[4-ethyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C23H22BrN5O2S2 |
|---|---|
| Molecular Weight | 543.04 g/mol |
| LogP | 6.0548 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 543.03986 |
| Heavy Atoms | 33 |
| Complexity | 1211.337 |
Chemical Identifiers
| CAS Number | 694501-92-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Br)C(C)OC4=CC=CC=C4 |
Product Overview
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-{[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 694501-92-3), with molecular formula C23H22BrN5O2S2 and molecular weight 543.04 g/mol. IUPAC: N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-[[4-ethyl-5-(1-phenoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-{[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-{[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 6.0548 indicates that N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-{[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-{[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-{[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-{[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-{[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 694501-92-3.
What is the molecular formula of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-{[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-{[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C23H22BrN5O2S2.
What is the molecular weight of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-{[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-{[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 543.04 g/mol.
Where can I buy N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-{[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-{[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-{[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-{[4-ethyl-5-(1-phenoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.