![2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide structure](/static/products/849/849017-40-9.png)
2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide
TL;DR: 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide (CAS 849017-40-9) is a chemical compound with molecular formula C23H27ClN4O2S and molecular weight 458.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide
Also Known As: 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide, 2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(3-chloro-4-methoxyphenyl)acetamide, 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide, 2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-(3-chloro-4-met hoxyphenyl)acetamide
| Molecular Formula | C23H27ClN4O2S |
|---|---|
| Molecular Weight | 458.15 g/mol |
| LogP | 5.6553 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.15433 |
| Heavy Atoms | 31 |
| Complexity | 1058.4287 |
Chemical Identifiers
| CAS Number | 849017-40-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)OC)Cl)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide (CAS 849017-40-9), with molecular formula C23H27ClN4O2S and molecular weight 458.15 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-chloro-4-methoxyphenyl)acetamide.
Chemical Property Profile of 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide
Property Insights of 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide
The XLogP value of 5.6553 indicates that 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide 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 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide?
The CAS number of 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide is 849017-40-9.
What is the molecular formula of 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide?
The molecular formula of 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide is C23H27ClN4O2S.
What is the molecular weight of 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide?
The molecular weight of 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide is 458.15 g/mol.
Where can I buy 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide?
You can request a quote for 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-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 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.