![N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl]-2-chlorobenzamide structure](/static/products/6944/694460-30-5.webp)
N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl]-2-chlorobenzamide
TL;DR: N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl]-2-chlorobenzamide (CAS 694460-30-5) is a chemical compound with molecular formula C24H26BrClN4O2S and molecular weight 548.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-3-methylbutyl]-2-chlorobenzamide
Also Known As: N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl]-2-chlorobenzamide, N-[1-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-3-methylbutyl]-2-chlorobenzamide
| Molecular Formula | C24H26BrClN4O2S |
|---|---|
| Molecular Weight | 548.06 g/mol |
| LogP | 6.2061 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 548.0648 |
| Heavy Atoms | 33 |
| Complexity | 1117.907 |
Chemical Identifiers
| CAS Number | 694460-30-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Br)C(CC(C)C)NC(=O)C3=CC=CC=C3Cl |
Product Overview
N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl]-2-chlorobenzamide (CAS 694460-30-5), with molecular formula C24H26BrClN4O2S and molecular weight 548.06 g/mol. IUPAC: N-[1-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]-3-methylbutyl]-2-chlorobenzamide.
Chemical Property Profile of N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl]-2-chlorobenzamide
Property Insights of N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl]-2-chlorobenzamide
The XLogP value of 6.2061 indicates that N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl]-2-chlorobenzamide 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-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl]-2-chlorobenzamide. Following Lipinski's Rule of Five, N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl]-2-chlorobenzamide 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-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl]-2-chlorobenzamide?
The CAS number of N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl]-2-chlorobenzamide is 694460-30-5.
What is the molecular formula of N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl]-2-chlorobenzamide?
The molecular formula of N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl]-2-chlorobenzamide is C24H26BrClN4O2S.
What is the molecular weight of N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl]-2-chlorobenzamide?
The molecular weight of N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl]-2-chlorobenzamide is 548.06 g/mol.
Where can I buy N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl]-2-chlorobenzamide?
You can request a quote for N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl]-2-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl]-2-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-ethyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl]-2-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.