N-Mesityl-2-((5-((phenylthio)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: N-Mesityl-2-((5-((phenylthio)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 539811-41-1) is a chemical compound with molecular formula C27H28N4OS2 and molecular weight 488.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(3-methylphenyl)-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Also Known As: N-Mesityl-2-((5-((phenylthio)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-mesityl-2-({4-(3-methylphenyl)-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, 2-[[4-(3-methylphenyl)-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide, 644-616-3, N-MESITYL-2-((4-(3-METHYLPHENYL)-5-((PHENYLSULFANYL)METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETAMIDE
| Molecular Formula | C27H28N4OS2 |
|---|---|
| Molecular Weight | 488.17 g/mol |
| LogP | 6.52408 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.17044 |
| Heavy Atoms | 34 |
| Complexity | 1278.2404 |
Chemical Identifiers
| CAS Number | 539811-41-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=C(C=C(C=C3C)C)C)CSC4=CC=CC=C4 |
Product Overview
N-Mesityl-2-((5-((phenylthio)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 539811-41-1), with molecular formula C27H28N4OS2 and molecular weight 488.17 g/mol. IUPAC: 2-[[4-(3-methylphenyl)-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
Chemical Property Profile of N-Mesityl-2-((5-((phenylthio)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
Property Insights of N-Mesityl-2-((5-((phenylthio)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 6.52408 indicates that N-Mesityl-2-((5-((phenylthio)methyl)-4-(m-tolyl)-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-Mesityl-2-((5-((phenylthio)methyl)-4-(m-tolyl)-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-Mesityl-2-((5-((phenylthio)methyl)-4-(m-tolyl)-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-Mesityl-2-((5-((phenylthio)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The CAS number of N-Mesityl-2-((5-((phenylthio)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 539811-41-1.
What is the molecular formula of N-Mesityl-2-((5-((phenylthio)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular formula of N-Mesityl-2-((5-((phenylthio)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is C27H28N4OS2.
What is the molecular weight of N-Mesityl-2-((5-((phenylthio)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular weight of N-Mesityl-2-((5-((phenylthio)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 488.17 g/mol.
Where can I buy N-Mesityl-2-((5-((phenylthio)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
You can request a quote for N-Mesityl-2-((5-((phenylthio)methyl)-4-(m-tolyl)-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-Mesityl-2-((5-((phenylthio)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-Mesityl-2-((5-((phenylthio)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.