RefChem:449363
TL;DR: RefChem:449363 (CAS 332909-34-9) is a chemical compound with molecular formula C26H27N5OS and molecular weight 457.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(2,6-dimethylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide
Also Known As: BAS 01816130, 2-((5-(((2,6-Dimethylphenyl)amino)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(p-tolyl)acetamide, 2-({5-[(2,6-dimethylanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methylphenyl)acetamide, 2-((5-((2,6-DIMETHYLANILINO)METHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(4-METHYLPHENYL)ACETAMIDE, 2-(5-{[(2,6-dimethylphenyl)amino]methyl}-4-phenyl(1,2,4-triazol-3-ylthio))-N-( 4-methylphenyl)acetamide
| Molecular Formula | C26H27N5OS |
|---|---|
| Molecular Weight | 457.19 g/mol |
| LogP | 5.53546 |
| Topological Polar Surface Area | 71.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 457.19363 |
| Heavy Atoms | 33 |
| Complexity | 1215.2893 |
Chemical Identifiers
| CAS Number | 332909-34-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC4=C(C=CC=C4C)C |
Product Overview
RefChem:449363 (CAS 332909-34-9), with molecular formula C26H27N5OS and molecular weight 457.19 g/mol. IUPAC: 2-[[5-[(2,6-dimethylanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methylphenyl)acetamide.
Chemical Property Profile of RefChem:449363
Property Insights of RefChem:449363
The XLogP value of 5.53546 indicates that RefChem:449363 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.84 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:449363. Following Lipinski's Rule of Five, RefChem:449363 has 2 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 RefChem:449363?
The CAS number of RefChem:449363 is 332909-34-9.
What is the molecular formula of RefChem:449363?
The molecular formula of RefChem:449363 is C26H27N5OS.
What is the molecular weight of RefChem:449363?
The molecular weight of RefChem:449363 is 457.19 g/mol.
Where can I buy RefChem:449363?
You can request a quote for RefChem:449363 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449363?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449363 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.