![2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide structure](/static/products/5404/540498-19-9.webp)
2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
TL;DR: 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide (CAS 540498-19-9) is a chemical compound with molecular formula C23H26N4OS2 and molecular weight 438.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dimethylphenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide, 2-((4-ALLYL-5-(((4-METHYLPHENYL)SULFANYL)METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(2,6-DIMETHYLPHENYL)ACETAMIDE, 2-((4-Allyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-dimethylphenyl)acetamide, 645-163-4, N-(2,6-dimethylphenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C23H26N4OS2 |
|---|---|
| Molecular Weight | 438.15 g/mol |
| LogP | 5.41246 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 438.15482 |
| Heavy Atoms | 30 |
| Complexity | 1007.93243 |
Chemical Identifiers
| CAS Number | 540498-19-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=NN=C(N2CC=C)SCC(=O)NC3=C(C=CC=C3C)C |
Product Overview
2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide (CAS 540498-19-9), with molecular formula C23H26N4OS2 and molecular weight 438.15 g/mol. IUPAC: N-(2,6-dimethylphenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
Property Insights of 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
The XLogP value of 5.41246 indicates that 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)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, 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)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 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide?
The CAS number of 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide is 540498-19-9.
What is the molecular formula of 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide?
The molecular formula of 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide is C23H26N4OS2.
What is the molecular weight of 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide?
The molecular weight of 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide is 438.15 g/mol.
Where can I buy 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide?
You can request a quote for 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide 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-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-allyl-5-{[(4-methylphenyl)sulfanyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.