N-(3-Chloro-2-methylphenyl)-2-((4-phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: N-(3-Chloro-2-methylphenyl)-2-((4-phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 618441-51-3) is a chemical compound with molecular formula C25H23ClN4OS2 and molecular weight 494.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-2-methylphenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(3-Chloro-2-methylphenyl)-2-((4-phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-CHLORO-2-METHYLPHENYL)-2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE, 644-717-2, N-(3-Chloro-2-methylphenyl)-2-((5-(((4-methylphenyl)sulfanyl)methyl)-4-phenyl-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide, N-(3-chloro-2-methylphenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C25H23ClN4OS2 |
|---|---|
| Molecular Weight | 494.10 g/mol |
| LogP | 6.56064 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.1002 |
| Heavy Atoms | 33 |
| Complexity | 1243.2639 |
Chemical Identifiers
| CAS Number | 618441-51-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C(=CC=C4)Cl)C |
Product Overview
N-(3-Chloro-2-methylphenyl)-2-((4-phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 618441-51-3), with molecular formula C25H23ClN4OS2 and molecular weight 494.10 g/mol. IUPAC: N-(3-chloro-2-methylphenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(3-Chloro-2-methylphenyl)-2-((4-phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
Property Insights of N-(3-Chloro-2-methylphenyl)-2-((4-phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 6.56064 indicates that N-(3-Chloro-2-methylphenyl)-2-((4-phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, N-(3-Chloro-2-methylphenyl)-2-((4-phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-Chloro-2-methylphenyl)-2-((4-phenyl-5-((p-tolylthio)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 N-(3-Chloro-2-methylphenyl)-2-((4-phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The CAS number of N-(3-Chloro-2-methylphenyl)-2-((4-phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 618441-51-3.
What is the molecular formula of N-(3-Chloro-2-methylphenyl)-2-((4-phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular formula of N-(3-Chloro-2-methylphenyl)-2-((4-phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is C25H23ClN4OS2.
What is the molecular weight of N-(3-Chloro-2-methylphenyl)-2-((4-phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular weight of N-(3-Chloro-2-methylphenyl)-2-((4-phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 494.10 g/mol.
Where can I buy N-(3-Chloro-2-methylphenyl)-2-((4-phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
You can request a quote for N-(3-Chloro-2-methylphenyl)-2-((4-phenyl-5-((p-tolylthio)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 N-(3-Chloro-2-methylphenyl)-2-((4-phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-Chloro-2-methylphenyl)-2-((4-phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.