![N-(2,6-DIMETHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE structure](/static/products/5398/539811-07-9.webp)
N-(2,6-DIMETHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
TL;DR: N-(2,6-DIMETHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE (CAS 539811-07-9) 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.
N-(2,6-dimethylphenyl)-2-[[4-(3-methylphenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(2,6-DIMETHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE, 644-676-0, N-(2,6-DIMETHYLPHENYL)-2-((4-(3-METHYLPHENYL)-5-(((4-METHYLPHENYL)SULFANYL)METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETAMIDE, N-(2,6-Dimethylphenyl)-2-((4-(m-tolyl)-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2,6-dimethylphenyl)-2-[[4-(3-methylphenyl)-5-[(4-methylphenyl)sulfanylmethyl]-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 | 539811-07-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC(=C3)C)SCC(=O)NC4=C(C=CC=C4C)C |
Product Overview
N-(2,6-DIMETHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE (CAS 539811-07-9), with molecular formula C27H28N4OS2 and molecular weight 488.17 g/mol. IUPAC: N-(2,6-dimethylphenyl)-2-[[4-(3-methylphenyl)-5-[(4-methylphenyl)sulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(2,6-DIMETHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
Property Insights of N-(2,6-DIMETHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
The XLogP value of 6.52408 indicates that N-(2,6-DIMETHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]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-(2,6-DIMETHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2,6-DIMETHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]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-(2,6-DIMETHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE?
The CAS number of N-(2,6-DIMETHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE is 539811-07-9.
What is the molecular formula of N-(2,6-DIMETHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE?
The molecular formula of N-(2,6-DIMETHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE is C27H28N4OS2.
What is the molecular weight of N-(2,6-DIMETHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE?
The molecular weight of N-(2,6-DIMETHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE is 488.17 g/mol.
Where can I buy N-(2,6-DIMETHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE?
You can request a quote for N-(2,6-DIMETHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,6-DIMETHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE?
Yes, KEHONG BIO provides custom synthesis services for N-(2,6-DIMETHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.