![N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-chlorobenzamide structure](/static/products/6944/694468-36-5.webp)
N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-chlorobenzamide
TL;DR: N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-chlorobenzamide (CAS 694468-36-5) is a chemical compound with molecular formula C22H22BrClN4O2S and molecular weight 520.03 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-methyl-1,2,4-triazol-3-yl]-2-methylpropyl]-4-chlorobenzamide
Also Known As: N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-chlorobenzamide, N-[1-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-2-methylpropyl]-4-chlorobenzamide
| Molecular Formula | C22H22BrClN4O2S |
|---|---|
| Molecular Weight | 520.03 g/mol |
| LogP | 5.3331 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 520.03357 |
| Heavy Atoms | 31 |
| Complexity | 1068.1199 |
Chemical Identifiers
| CAS Number | 694468-36-5 |
|---|---|
| SMILES | CC(C)C(C1=NN=C(N1C)SCC(=O)C2=CC=C(C=C2)Br)NC(=O)C3=CC=C(C=C3)Cl |
Product Overview
N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-chlorobenzamide (CAS 694468-36-5), with molecular formula C22H22BrClN4O2S and molecular weight 520.03 g/mol. IUPAC: N-[1-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]-2-methylpropyl]-4-chlorobenzamide.
Chemical Property Profile of N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-chlorobenzamide
Property Insights of N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-chlorobenzamide
The XLogP value of 5.3331 indicates that N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-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-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-chlorobenzamide. Following Lipinski's Rule of Five, N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-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-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-chlorobenzamide?
The CAS number of N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-chlorobenzamide is 694468-36-5.
What is the molecular formula of N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-chlorobenzamide?
The molecular formula of N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-chlorobenzamide is C22H22BrClN4O2S.
What is the molecular weight of N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-chlorobenzamide?
The molecular weight of N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-chlorobenzamide is 520.03 g/mol.
Where can I buy N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-chlorobenzamide?
You can request a quote for N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-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-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)-2-methylpropyl]-4-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.