3K-025
TL;DR: 3K-025 (CAS 338411-67-9) is a chemical compound with molecular formula C20H15ClF3NOS2 and molecular weight 441.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]-2-(4-methylphenyl)sulfanylethanone
Also Known As: 3K-025, 1-(5-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)methyl)-2-thienyl)-2-((4-methylphenyl)sulfanyl)-1-ethanone, 1-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]thiophen-2-yl]-2-(4-methylphenyl)sulfanylethanone, 1-(5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}thiophen-2-yl)-2-[(4-methylphenyl)sulfanyl]ethan-1-one, 1-(5-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-2-thienyl)-2-[(4-methylphenyl)sulfanyl]-1-ethanone
| Molecular Formula | C20H15ClF3NOS2 |
|---|---|
| Molecular Weight | 441.02 g/mol |
| LogP | 6.68952 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 441.02356 |
| Heavy Atoms | 28 |
| Complexity | 983.861 |
Chemical Identifiers
| CAS Number | 338411-67-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC(=O)C2=CC=C(S2)CC3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
3K-025 (CAS 338411-67-9), with molecular formula C20H15ClF3NOS2 and molecular weight 441.02 g/mol. IUPAC: 1-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]-2-(4-methylphenyl)sulfanylethanone.
Chemical Property Profile of 3K-025
Property Insights of 3K-025
The XLogP value of 6.68952 indicates that 3K-025 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.96 Ų, 3K-025 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3K-025 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3K-025?
The CAS number of 3K-025 is 338411-67-9.
What is the molecular formula of 3K-025?
The molecular formula of 3K-025 is C20H15ClF3NOS2.
What is the molecular weight of 3K-025?
The molecular weight of 3K-025 is 441.02 g/mol.
Where can I buy 3K-025?
You can request a quote for 3K-025 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3K-025?
Yes, KEHONG BIO provides custom synthesis services for 3K-025 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.