![N-[(4-chlorophenyl)methyl]-2-[[5-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide structure](/static/products/5886/588672-88-2.webp)
N-[(4-chlorophenyl)methyl]-2-[[5-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
TL;DR: N-[(4-chlorophenyl)methyl]-2-[[5-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 588672-88-2) is a chemical compound with molecular formula C17H15Br2ClN4OS2 and molecular weight 547.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-2-[[5-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[(4-chlorophenyl)methyl]-2-[[5-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-[5-(4,5-dibromo(2-thienyl))-4-ethyl(1,2,4-triazol-3-ylthio)]-N-[(4-chlorophe nyl)methyl]acetamide, N-(4-chlorobenzyl)-2-{[5-(4,5-dibromothiophen-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C17H15Br2ClN4OS2 |
|---|---|
| Molecular Weight | 547.87 g/mol |
| LogP | 5.6134 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 547.87427 |
| Heavy Atoms | 27 |
| Complexity | 923.564 |
Chemical Identifiers
| CAS Number | 588672-88-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)Cl)C3=CC(=C(S3)Br)Br |
Product Overview
N-[(4-chlorophenyl)methyl]-2-[[5-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 588672-88-2), with molecular formula C17H15Br2ClN4OS2 and molecular weight 547.87 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-2-[[5-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-[(4-chlorophenyl)methyl]-2-[[5-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Property Insights of N-[(4-chlorophenyl)methyl]-2-[[5-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
The XLogP value of 5.6134 indicates that N-[(4-chlorophenyl)methyl]-2-[[5-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]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-[(4-chlorophenyl)methyl]-2-[[5-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(4-chlorophenyl)methyl]-2-[[5-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has 1 hydrogen bond donor(s) and 5 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-chlorophenyl)methyl]-2-[[5-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The CAS number of N-[(4-chlorophenyl)methyl]-2-[[5-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is 588672-88-2.
What is the molecular formula of N-[(4-chlorophenyl)methyl]-2-[[5-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular formula of N-[(4-chlorophenyl)methyl]-2-[[5-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is C17H15Br2ClN4OS2.
What is the molecular weight of N-[(4-chlorophenyl)methyl]-2-[[5-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular weight of N-[(4-chlorophenyl)methyl]-2-[[5-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is 547.87 g/mol.
Where can I buy N-[(4-chlorophenyl)methyl]-2-[[5-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
You can request a quote for N-[(4-chlorophenyl)methyl]-2-[[5-(4,5-dibromothiophen-2-yl)-4-ethyl-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-chlorophenyl)methyl]-2-[[5-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-chlorophenyl)methyl]-2-[[5-(4,5-dibromothiophen-2-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.