![N-(2,6-dimethylphenyl)-2-({4-(3-methylphenyl)-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide structure](/static/products/5398/539811-39-7.webp)
N-(2,6-dimethylphenyl)-2-({4-(3-methylphenyl)-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
TL;DR: N-(2,6-dimethylphenyl)-2-({4-(3-methylphenyl)-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 539811-39-7) is a chemical compound with molecular formula C26H26N4OS2 and molecular weight 474.15 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-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(2,6-dimethylphenyl)-2-({4-(3-methylphenyl)-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, 644-613-7, N-(2,6-Dimethylphenyl)-2-((4-(3-methylphenyl)-5-((phenylsulfanyl)methyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetamide, N-(2,6-Dimethylphenyl)-2-((5-((phenylthio)methyl)-4-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2,6-dimethylphenyl)-2-[[4-(3-methylphenyl)-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C26H26N4OS2 |
|---|---|
| Molecular Weight | 474.15 g/mol |
| LogP | 6.21566 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 474.15482 |
| Heavy Atoms | 33 |
| Complexity | 1234.1489 |
Chemical Identifiers
| CAS Number | 539811-39-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CC=C3C)C)CSC4=CC=CC=C4 |
Product Overview
N-(2,6-dimethylphenyl)-2-({4-(3-methylphenyl)-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 539811-39-7), with molecular formula C26H26N4OS2 and molecular weight 474.15 g/mol. IUPAC: N-(2,6-dimethylphenyl)-2-[[4-(3-methylphenyl)-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(2,6-dimethylphenyl)-2-({4-(3-methylphenyl)-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Property Insights of N-(2,6-dimethylphenyl)-2-({4-(3-methylphenyl)-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
The XLogP value of 6.21566 indicates that N-(2,6-dimethylphenyl)-2-({4-(3-methylphenyl)-5-[(phenylsulfanyl)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-[(phenylsulfanyl)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-[(phenylsulfanyl)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-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The CAS number of N-(2,6-dimethylphenyl)-2-({4-(3-methylphenyl)-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 539811-39-7.
What is the molecular formula of N-(2,6-dimethylphenyl)-2-({4-(3-methylphenyl)-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular formula of N-(2,6-dimethylphenyl)-2-({4-(3-methylphenyl)-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is C26H26N4OS2.
What is the molecular weight of N-(2,6-dimethylphenyl)-2-({4-(3-methylphenyl)-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular weight of N-(2,6-dimethylphenyl)-2-({4-(3-methylphenyl)-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 474.15 g/mol.
Where can I buy N-(2,6-dimethylphenyl)-2-({4-(3-methylphenyl)-5-[(phenylsulfanyl)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-[(phenylsulfanyl)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-[(phenylsulfanyl)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-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.