RefChem:830214
TL;DR: RefChem:830214 (CAS 539809-06-8) is a chemical compound with molecular formula C27H28N4OS2 and molecular weight 488.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide
Also Known As: A3057/0129140, N-mesityl-2-[(5-{[(4-methylphenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-Mesityl-2-((4-phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide, 644-684-4
| Molecular Formula | C27H28N4OS2 |
|---|---|
| Molecular Weight | 488.17 g/mol |
| LogP | 6.52408 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 488.17044 |
| Heavy Atoms | 34 |
| Complexity | 1260.9904 |
Chemical Identifiers
| CAS Number | 539809-06-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=C(C=C4C)C)C |
Product Overview
RefChem:830214 (CAS 539809-06-8), with molecular formula C27H28N4OS2 and molecular weight 488.17 g/mol. IUPAC: 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide.
Chemical Property Profile of RefChem:830214
Property Insights of RefChem:830214
The XLogP value of 6.52408 indicates that RefChem:830214 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, RefChem:830214 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:830214 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 RefChem:830214?
The CAS number of RefChem:830214 is 539809-06-8.
What is the molecular formula of RefChem:830214?
The molecular formula of RefChem:830214 is C27H28N4OS2.
What is the molecular weight of RefChem:830214?
The molecular weight of RefChem:830214 is 488.17 g/mol.
Where can I buy RefChem:830214?
You can request a quote for RefChem:830214 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:830214?
Yes, KEHONG BIO provides custom synthesis services for RefChem:830214 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.