2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide
TL;DR: 2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide (CAS 540498-28-0) is a chemical compound with molecular formula C24H28N4OS2 and molecular weight 452.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Also Known As: 2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide, 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-mesitylacetamide, 2-((4-ALLYL-5-(((4-METHYLPHENYL)SULFANYL)METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-MESITYLACETAMIDE, 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide, 645-159-2
| Molecular Formula | C24H28N4OS2 |
|---|---|
| Molecular Weight | 452.17 g/mol |
| LogP | 5.72088 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 452.17044 |
| Heavy Atoms | 31 |
| Complexity | 1050.6785 |
Chemical Identifiers
| CAS Number | 540498-28-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=NN=C(N2CC=C)SCC(=O)NC3=C(C=C(C=C3C)C)C |
Product Overview
2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide (CAS 540498-28-0), with molecular formula C24H28N4OS2 and molecular weight 452.17 g/mol. IUPAC: 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
Chemical Property Profile of 2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide
Property Insights of 2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide
The XLogP value of 5.72088 indicates that 2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, 2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide 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 2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide?
The CAS number of 2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide is 540498-28-0.
What is the molecular formula of 2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide?
The molecular formula of 2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide is C24H28N4OS2.
What is the molecular weight of 2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide?
The molecular weight of 2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide is 452.17 g/mol.
Where can I buy 2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide?
You can request a quote for 2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-mesitylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.