![2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide structure](/static/products/6184/618441-54-6.webp)
2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
TL;DR: 2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide (CAS 618441-54-6) is a chemical compound with molecular formula C28H31N5OS2 and molecular weight 517.20 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-[(N-propan-2-ylanilino)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide, 2-((5-((((Isopropyl(phenyl)amino)methyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(o-tolyl)acetamide, 2-((5-((((Isopropylanilino)methyl)sulfanyl)methyl)-4-phenyl-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(2-methylphenyl)acetamide, 646-396-4, N-(2-methylphenyl)-2-({4-phenyl-5-[({[phenyl(propan-2-yl)amino]methyl}sulfanyl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
| Molecular Formula | C28H31N5OS2 |
|---|---|
| Molecular Weight | 517.20 g/mol |
| LogP | 6.41222 |
| Topological Polar Surface Area | 63.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 517.197 |
| Heavy Atoms | 36 |
| Complexity | 1261.4473 |
Chemical Identifiers
| CAS Number | 618441-54-6 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CSCN(C4=CC=CC=C4)C(C)C |
Product Overview
2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide (CAS 618441-54-6), with molecular formula C28H31N5OS2 and molecular weight 517.20 g/mol. IUPAC: N-(2-methylphenyl)-2-[[4-phenyl-5-[(N-propan-2-ylanilino)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
Property Insights of 2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide
The XLogP value of 6.41222 indicates that 2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide?
The CAS number of 2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide is 618441-54-6.
What is the molecular formula of 2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide?
The molecular formula of 2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide is C28H31N5OS2.
What is the molecular weight of 2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide?
The molecular weight of 2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide is 517.20 g/mol.
Where can I buy 2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide?
You can request a quote for 2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.