![2-[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide structure](/static/products/7929/792943-32-9.webp)
2-[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide
TL;DR: 2-[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide (CAS 792943-32-9) is a chemical compound with molecular formula C22H21BrClN5O2S and molecular weight 533.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-[2-(4-bromo-3-chloroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide
Also Known As: 2-[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide, 2-[5-[2-(4-bromo-3-chloroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide
| Molecular Formula | C22H21BrClN5O2S |
|---|---|
| Molecular Weight | 533.03 g/mol |
| LogP | 5.10042 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 533.0288 |
| Heavy Atoms | 32 |
| Complexity | 1151.0999 |
Chemical Identifiers
| CAS Number | 792943-32-9 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CC2=NN=C(N2CC=C)SCC(=O)NC3=CC(=C(C=C3)Br)Cl |
Product Overview
2-[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide (CAS 792943-32-9), with molecular formula C22H21BrClN5O2S and molecular weight 533.03 g/mol. IUPAC: 2-[5-[2-(4-bromo-3-chloroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide.
Chemical Property Profile of 2-[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide
Property Insights of 2-[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide
The XLogP value of 5.10042 indicates that 2-[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide has 2 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 2-[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide?
The CAS number of 2-[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide is 792943-32-9.
What is the molecular formula of 2-[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide?
The molecular formula of 2-[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide is C22H21BrClN5O2S.
What is the molecular weight of 2-[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide?
The molecular weight of 2-[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide is 533.03 g/mol.
Where can I buy 2-[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide?
You can request a quote for 2-[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-({2-[(4-bromo-3-chlorophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]-N-(2-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.