![2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide structure](/static/products/7012/701282-16-8.webp)
2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
TL;DR: 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide (CAS 701282-16-8) is a chemical compound with molecular formula C21H21Cl2N5O2S2 and molecular weight 509.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dichlorophenyl)-2-[4-ethyl-5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
Also Known As: 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide, N-(3,4-dichlorophenyl)-2-[4-ethyl-5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide
| Molecular Formula | C21H21Cl2N5O2S2 |
|---|---|
| Molecular Weight | 509.05 g/mol |
| LogP | 5.2387 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 509.05136 |
| Heavy Atoms | 32 |
| Complexity | 1123.3195 |
Chemical Identifiers
| CAS Number | 701282-16-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)SC)CC(=O)NC3=CC(=C(C=C3)Cl)Cl |
Product Overview
2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide (CAS 701282-16-8), with molecular formula C21H21Cl2N5O2S2 and molecular weight 509.05 g/mol. IUPAC: N-(3,4-dichlorophenyl)-2-[4-ethyl-5-[2-(3-methylsulfanylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]acetamide.
Chemical Property Profile of 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
Property Insights of 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide
The XLogP value of 5.2387 indicates that 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]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-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide. Following Lipinski's Rule of Five, 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide has 2 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 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide?
The CAS number of 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide is 701282-16-8.
What is the molecular formula of 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide?
The molecular formula of 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide is C21H21Cl2N5O2S2.
What is the molecular weight of 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide?
The molecular weight of 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide is 509.05 g/mol.
Where can I buy 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide?
You can request a quote for 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]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-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(methylsulfanyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.