3K-041
TL;DR: 3K-041 (CAS 439097-51-5) is a chemical compound with molecular formula C15H11ClF3NO3S and molecular weight 377.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]-2-oxoacetate
Also Known As: 3K-041, ethyl 2-(5-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl}-2-thienyl)-2-oxoacetate, ethyl 2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]thiophen-2-yl]-2-oxoacetate, ethyl 2-(5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}thiophen-2-yl)-2-oxoacetate, Ethyl 2-[5-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]thiophen-2-yl]-2-oxo-acetate
| Molecular Formula | C15H11ClF3NO3S |
|---|---|
| Molecular Weight | 377.01 g/mol |
| LogP | 4.1519 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 377.01004 |
| Heavy Atoms | 24 |
| Complexity | 773.56506 |
Chemical Identifiers
| CAS Number | 439097-51-5 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CC=C(S1)CC2=C(C=C(C=N2)C(F)(F)F)Cl |
Product Overview
3K-041 (CAS 439097-51-5), with molecular formula C15H11ClF3NO3S and molecular weight 377.01 g/mol. IUPAC: ethyl 2-[5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]thiophen-2-yl]-2-oxoacetate.
Chemical Property Profile of 3K-041
Property Insights of 3K-041
The XLogP value of 4.1519 indicates that 3K-041 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, 3K-041 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3K-041 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3K-041?
The CAS number of 3K-041 is 439097-51-5.
What is the molecular formula of 3K-041?
The molecular formula of 3K-041 is C15H11ClF3NO3S.
What is the molecular weight of 3K-041?
The molecular weight of 3K-041 is 377.01 g/mol.
Where can I buy 3K-041?
You can request a quote for 3K-041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3K-041?
Yes, KEHONG BIO provides custom synthesis services for 3K-041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.