![N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/5255/525581-50-4.webp)
N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 525581-50-4) is a chemical compound with molecular formula C24H20ClN5O2S and molecular weight 477.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-benzoyl-4-chlorophenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2-benzoyl-4-chloro-phenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2-benzoyl-4-chlorophenyl)-2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2-benzoyl-4-chlorophenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2-benzoyl-4-chlorophenyl)-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C24H20ClN5O2S |
|---|---|
| Molecular Weight | 477.10 g/mol |
| LogP | 4.9752 |
| Topological Polar Surface Area | 89.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 477.10263 |
| Heavy Atoms | 33 |
| Complexity | 1278.7764 |
Chemical Identifiers
| CAS Number | 525581-50-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C4=CC=NC=C4 |
Product Overview
N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 525581-50-4), with molecular formula C24H20ClN5O2S and molecular weight 477.10 g/mol. IUPAC: N-(2-benzoyl-4-chlorophenyl)-2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 4.9752 indicates that N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 525581-50-4.
What is the molecular formula of N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C24H20ClN5O2S.
What is the molecular weight of N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 477.10 g/mol.
Where can I buy N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-chloro-2-(phenylcarbonyl)phenyl]-2-{[4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.