![N1-[3,5-di(trifluoromethyl)phenyl]-2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetamide structure](/static/products/6505/650592-16-8.webp)
N1-[3,5-di(trifluoromethyl)phenyl]-2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetamide
TL;DR: N1-[3,5-di(trifluoromethyl)phenyl]-2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetamide (CAS 650592-16-8) is a chemical compound with molecular formula C17H12Cl2F6N6OS and molecular weight 532.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-[(4,5-dichloroimidazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N1-[3,5-di(trifluoromethyl)phenyl]-2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetamide, N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-[(4,5-dichloroimidazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N1-[3,5-di(trifluoromethyl)phenyl]-2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-t, N-[3,5-bis(trifluoromethyl)phenyl]-2-({5-[(4,5-dichloroimidazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl}sulfanyl)acetamide
| Molecular Formula | C17H12Cl2F6N6OS |
|---|---|
| Molecular Weight | 532.01 g/mol |
| LogP | 5.1351 |
| Topological Polar Surface Area | 77.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.00745 |
| Heavy Atoms | 33 |
| Complexity | 1143.6866 |
Chemical Identifiers
| CAS Number | 650592-16-8 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CN3C=NC(=C3Cl)Cl |
Product Overview
N1-[3,5-di(trifluoromethyl)phenyl]-2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetamide (CAS 650592-16-8), with molecular formula C17H12Cl2F6N6OS and molecular weight 532.01 g/mol. IUPAC: N-[3,5-bis(trifluoromethyl)phenyl]-2-[[5-[(4,5-dichloroimidazol-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N1-[3,5-di(trifluoromethyl)phenyl]-2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetamide
Property Insights of N1-[3,5-di(trifluoromethyl)phenyl]-2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetamide
The XLogP value of 5.1351 indicates that N1-[3,5-di(trifluoromethyl)phenyl]-2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-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 77.63 Ų falls within the moderate polarity range, balancing permeability and solubility for N1-[3,5-di(trifluoromethyl)phenyl]-2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetamide. Following Lipinski's Rule of Five, N1-[3,5-di(trifluoromethyl)phenyl]-2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)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 N1-[3,5-di(trifluoromethyl)phenyl]-2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetamide?
The CAS number of N1-[3,5-di(trifluoromethyl)phenyl]-2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetamide is 650592-16-8.
What is the molecular formula of N1-[3,5-di(trifluoromethyl)phenyl]-2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetamide?
The molecular formula of N1-[3,5-di(trifluoromethyl)phenyl]-2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetamide is C17H12Cl2F6N6OS.
What is the molecular weight of N1-[3,5-di(trifluoromethyl)phenyl]-2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetamide?
The molecular weight of N1-[3,5-di(trifluoromethyl)phenyl]-2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetamide is 532.01 g/mol.
Where can I buy N1-[3,5-di(trifluoromethyl)phenyl]-2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetamide?
You can request a quote for N1-[3,5-di(trifluoromethyl)phenyl]-2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-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 N1-[3,5-di(trifluoromethyl)phenyl]-2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N1-[3,5-di(trifluoromethyl)phenyl]-2-({5-[(4,5-dichloro-1H-imidazol-1-yl)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.