![N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetamide structure](/static/products/5544/554404-49-8.webp)
N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetamide
TL;DR: N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetamide (CAS 554404-49-8) is a chemical compound with molecular formula C23H23ClF3N5O2S and molecular weight 525.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetamide, N-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C23H23ClF3N5O2S |
|---|---|
| Molecular Weight | 525.12 g/mol |
| LogP | 6.2569 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 525.12134 |
| Heavy Atoms | 35 |
| Complexity | 1198.1401 |
Chemical Identifiers
| CAS Number | 554404-49-8 |
|---|---|
| SMILES | COC1=CC=CC=C1C2=NN=C(N2C3CCCCC3)SCC(=O)NC4=C(C=C(C=N4)C(F)(F)F)Cl |
Product Overview
N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetamide (CAS 554404-49-8), with molecular formula C23H23ClF3N5O2S and molecular weight 525.12 g/mol. IUPAC: N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetamide
Property Insights of N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetamide
The XLogP value of 6.2569 indicates that N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetamide. Following Lipinski's Rule of Five, N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetamide has 1 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 N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetamide?
The CAS number of N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetamide is 554404-49-8.
What is the molecular formula of N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetamide?
The molecular formula of N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetamide is C23H23ClF3N5O2S.
What is the molecular weight of N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetamide?
The molecular weight of N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetamide is 525.12 g/mol.
Where can I buy N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetamide?
You can request a quote for N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[[4-cyclohexyl-5-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.