![2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide structure](/static/products/7019/701925-97-5.webp)
2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
TL;DR: 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide (CAS 701925-97-5) is a chemical compound with molecular formula C22H23Cl2N5O3S and molecular weight 507.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4-dichlorophenyl)-2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-ethyl-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-(4-ethoxyphenyl)acetamide, N-(3,4-dichlorophenyl)-2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-ethyl-1,2,4-triazol-3-yl]acetamide
| Molecular Formula | C22H23Cl2N5O3S |
|---|---|
| Molecular Weight | 507.09 g/mol |
| LogP | 4.9155 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 507.08987 |
| Heavy Atoms | 33 |
| Complexity | 1121.7191 |
Chemical Identifiers
| CAS Number | 701925-97-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)OCC)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-(4-ethoxyphenyl)acetamide (CAS 701925-97-5), with molecular formula C22H23Cl2N5O3S and molecular weight 507.09 g/mol. IUPAC: N-(3,4-dichlorophenyl)-2-[5-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-4-ethyl-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-(4-ethoxyphenyl)acetamide
Property Insights of 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
The XLogP value of 4.9155 indicates that 2-[(5-{2-[(3,4-dichlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.14 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-(4-ethoxyphenyl)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-(4-ethoxyphenyl)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-(4-ethoxyphenyl)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-(4-ethoxyphenyl)acetamide is 701925-97-5.
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-(4-ethoxyphenyl)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-(4-ethoxyphenyl)acetamide is C22H23Cl2N5O3S.
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-(4-ethoxyphenyl)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-(4-ethoxyphenyl)acetamide is 507.09 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-(4-ethoxyphenyl)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-(4-ethoxyphenyl)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-(4-ethoxyphenyl)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-(4-ethoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.