2-((5-((((Isopropyl(phenyl)amino)methyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide
TL;DR: 2-((5-((((Isopropyl(phenyl)amino)methyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide (CAS 618441-55-7) 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-(3-methylphenyl)-2-[[4-phenyl-5-[(N-propan-2-ylanilino)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-((5-((((Isopropyl(phenyl)amino)methyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide, 2-{[5-({[(isopropylanilino)methyl]sulfanyl}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methylphenyl)acetamide, 2-((5-((((ISOPROPYLANILINO)METHYL)SULFANYL)METHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(3-METHYLPHENYL)ACETAMIDE, 646-398-5, N-(3-methylphenyl)-2-[[4-phenyl-5-[(N-propan-2-ylanilino)methylsulfanylmethyl]-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 | 618441-55-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CSCN(C4=CC=CC=C4)C(C)C |
Product Overview
2-((5-((((Isopropyl(phenyl)amino)methyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide (CAS 618441-55-7), with molecular formula C28H31N5OS2 and molecular weight 517.20 g/mol. IUPAC: N-(3-methylphenyl)-2-[[4-phenyl-5-[(N-propan-2-ylanilino)methylsulfanylmethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-((5-((((Isopropyl(phenyl)amino)methyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide
Property Insights of 2-((5-((((Isopropyl(phenyl)amino)methyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide
The XLogP value of 6.41222 indicates that 2-((5-((((Isopropyl(phenyl)amino)methyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)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-((((Isopropyl(phenyl)amino)methyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide. Following Lipinski's Rule of Five, 2-((5-((((Isopropyl(phenyl)amino)methyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)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-((((Isopropyl(phenyl)amino)methyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide?
The CAS number of 2-((5-((((Isopropyl(phenyl)amino)methyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide is 618441-55-7.
What is the molecular formula of 2-((5-((((Isopropyl(phenyl)amino)methyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide?
The molecular formula of 2-((5-((((Isopropyl(phenyl)amino)methyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide is C28H31N5OS2.
What is the molecular weight of 2-((5-((((Isopropyl(phenyl)amino)methyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide?
The molecular weight of 2-((5-((((Isopropyl(phenyl)amino)methyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide is 517.20 g/mol.
Where can I buy 2-((5-((((Isopropyl(phenyl)amino)methyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide?
You can request a quote for 2-((5-((((Isopropyl(phenyl)amino)methyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)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-((((Isopropyl(phenyl)amino)methyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-((((Isopropyl(phenyl)amino)methyl)thio)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.