![N-(2-methylphenyl)-2-({4-phenyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide structure](/static/products/5398/539809-78-4.webp)
N-(2-methylphenyl)-2-({4-phenyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
TL;DR: N-(2-methylphenyl)-2-({4-phenyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 539809-78-4) is a chemical compound with molecular formula C24H22N4OS2 and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methylphenyl)-2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(2-methylphenyl)-2-({4-phenyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(2-methylphenyl)-2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-((4-Phenyl-5-((phenylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(o-tolyl)acetamide, 644-653-5, N-(2-METHYLPHENYL)-2-((4-PHENYL-5-((PHENYLSULFANYL)METHYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETAMIDE
| Molecular Formula | C24H22N4OS2 |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 5.59882 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.1235 |
| Heavy Atoms | 31 |
| Complexity | 1146.7301 |
Chemical Identifiers
| CAS Number | 539809-78-4 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CSC4=CC=CC=C4 |
Product Overview
N-(2-methylphenyl)-2-({4-phenyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 539809-78-4), with molecular formula C24H22N4OS2 and molecular weight 446.12 g/mol. IUPAC: N-(2-methylphenyl)-2-[[4-phenyl-5-(phenylsulfanylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(2-methylphenyl)-2-({4-phenyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Property Insights of N-(2-methylphenyl)-2-({4-phenyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
The XLogP value of 5.59882 indicates that N-(2-methylphenyl)-2-({4-phenyl-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-methylphenyl)-2-({4-phenyl-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-methylphenyl)-2-({4-phenyl-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-methylphenyl)-2-({4-phenyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The CAS number of N-(2-methylphenyl)-2-({4-phenyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 539809-78-4.
What is the molecular formula of N-(2-methylphenyl)-2-({4-phenyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular formula of N-(2-methylphenyl)-2-({4-phenyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is C24H22N4OS2.
What is the molecular weight of N-(2-methylphenyl)-2-({4-phenyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular weight of N-(2-methylphenyl)-2-({4-phenyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 446.12 g/mol.
Where can I buy N-(2-methylphenyl)-2-({4-phenyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
You can request a quote for N-(2-methylphenyl)-2-({4-phenyl-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-methylphenyl)-2-({4-phenyl-5-[(phenylsulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methylphenyl)-2-({4-phenyl-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.