4K-538S
TL;DR: 4K-538S (CAS 339277-17-7) is a chemical compound with molecular formula C26H19F3N2S and molecular weight 448.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-diphenyl-1-prop-2-ynyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazole
Also Known As: 4K-538S, 4,5-diphenyl-1-(2-propynyl)-1H-imidazol-2-yl 3-(trifluoromethyl)benzyl sulfide, 4,5-diphenyl-1-prop-2-ynyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazole, 4,5-diphenyl-1-(prop-2-yn-1-yl)-2-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-1H-imidazole
| Molecular Formula | C26H19F3N2S |
|---|---|
| Molecular Weight | 448.12 g/mol |
| LogP | 7.1614 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.1221 |
| Heavy Atoms | 32 |
| Complexity | 1239.8048 |
Chemical Identifiers
| CAS Number | 339277-17-7 |
|---|---|
| SMILES | C#CCN1C(=C(N=C1SCC2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
4K-538S (CAS 339277-17-7), with molecular formula C26H19F3N2S and molecular weight 448.12 g/mol. IUPAC: 4,5-diphenyl-1-prop-2-ynyl-2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]imidazole.
Chemical Property Profile of 4K-538S
Property Insights of 4K-538S
The XLogP value of 7.1614 indicates that 4K-538S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.82 Ų, 4K-538S exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4K-538S has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4K-538S?
The CAS number of 4K-538S is 339277-17-7.
What is the molecular formula of 4K-538S?
The molecular formula of 4K-538S is C26H19F3N2S.
What is the molecular weight of 4K-538S?
The molecular weight of 4K-538S is 448.12 g/mol.
Where can I buy 4K-538S?
You can request a quote for 4K-538S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4K-538S?
Yes, KEHONG BIO provides custom synthesis services for 4K-538S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.