![N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide structure](/static/products/7142/714281-73-9.webp)
N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
TL;DR: N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide (CAS 714281-73-9) is a chemical compound with molecular formula C22H23BrN4O3S and molecular weight 502.07 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]ethyl]-2-(4-methoxyphenyl)acetamide
Also Known As: N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide, N-[1-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)acetamide, N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]thio}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
| Molecular Formula | C22H23BrN4O3S |
|---|---|
| Molecular Weight | 502.07 g/mol |
| LogP | 3.9811 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 502.0674 |
| Heavy Atoms | 31 |
| Complexity | 1051.6229 |
Chemical Identifiers
| CAS Number | 714281-73-9 |
|---|---|
| SMILES | CC(C1=NN=C(N1C)SCC(=O)C2=CC=C(C=C2)Br)NC(=O)CC3=CC=C(C=C3)OC |
Product Overview
N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide (CAS 714281-73-9), with molecular formula C22H23BrN4O3S and molecular weight 502.07 g/mol. IUPAC: N-[1-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethyl]-2-(4-methoxyphenyl)acetamide.
Chemical Property Profile of N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
Property Insights of N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
The XLogP value of 3.9811 indicates that N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 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)ethyl]-2-(4-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide has 1 hydrogen bond donor(s) and 6 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)ethyl]-2-(4-methoxyphenyl)acetamide?
The CAS number of N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide is 714281-73-9.
What is the molecular formula of N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
The molecular formula of N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide is C22H23BrN4O3S.
What is the molecular weight of N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
The molecular weight of N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide is 502.07 g/mol.
Where can I buy N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide?
You can request a quote for N-[1-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide 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)ethyl]-2-(4-methoxyphenyl)acetamide?
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)ethyl]-2-(4-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.