RefChem:449355
TL;DR: RefChem:449355 (CAS 539808-45-2) is a chemical compound with molecular formula C25H21F3N4OS2 and molecular weight 514.11 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-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: 2-[(5-{[(4-methylphenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide, A3077/0130125, 2-((4-Phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide, 2-((5-(((4-Methylphenyl)sulfanyl)methyl)-4-phenyl-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(3-(trifluoromethyl)phenyl)acetamide, 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C25H21F3N4OS2 |
|---|---|
| Molecular Weight | 514.11 g/mol |
| LogP | 6.61762 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 514.1109 |
| Heavy Atoms | 35 |
| Complexity | 1292.3223 |
Chemical Identifiers
| CAS Number | 539808-45-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC(=C4)C(F)(F)F |
Product Overview
RefChem:449355 (CAS 539808-45-2), with molecular formula C25H21F3N4OS2 and molecular weight 514.11 g/mol. IUPAC: 2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of RefChem:449355
Property Insights of RefChem:449355
The XLogP value of 6.61762 indicates that RefChem:449355 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:449355 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:449355 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:449355?
The CAS number of RefChem:449355 is 539808-45-2.
What is the molecular formula of RefChem:449355?
The molecular formula of RefChem:449355 is C25H21F3N4OS2.
What is the molecular weight of RefChem:449355?
The molecular weight of RefChem:449355 is 514.11 g/mol.
Where can I buy RefChem:449355?
You can request a quote for RefChem:449355 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:449355?
Yes, KEHONG BIO provides custom synthesis services for RefChem:449355 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.