3K-014
TL;DR: 3K-014 (CAS 338412-27-4) is a chemical compound with molecular formula C20H16ClF3N4O and molecular weight 420.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-N-(dimethylaminomethylidene)-2-[3-(trifluoromethyl)quinoxalin-2-yl]acetamide
Also Known As: 3K-014, 2-(4-chlorophenyl)-N-(dimethylaminomethylidene)-2-[3-(trifluoromethyl)quinoxalin-2-yl]acetamide, 2-(4-Chlorophenyl)-N-((dimethylamino)methylene)-2-(3-(trifluoromethyl)-2-quinoxalinyl)acetamide, 2-(4-chlorophenyl)-N-[(dimethylamino)methylene]-2-[3-(trifluoromethyl)-2-quinoxalinyl]acetamide, 2-(4-Chlorophenyl)-N-((dimethylamino)methylene)-2-(3-(trifluoromethyl)quinoxalin-2-yl)acetamide
| Molecular Formula | C20H16ClF3N4O |
|---|---|
| Molecular Weight | 420.10 g/mol |
| LogP | 4.5504 |
| Topological Polar Surface Area | 58.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.09647 |
| Heavy Atoms | 29 |
| Complexity | 1065.5045 |
Chemical Identifiers
| CAS Number | 338412-27-4 |
|---|---|
| SMILES | CN(C)C=NC(=O)C(C1=CC=C(C=C1)Cl)C2=NC3=CC=CC=C3N=C2C(F)(F)F |
Product Overview
3K-014 (CAS 338412-27-4), with molecular formula C20H16ClF3N4O and molecular weight 420.10 g/mol. IUPAC: 2-(4-chlorophenyl)-N-(dimethylaminomethylidene)-2-[3-(trifluoromethyl)quinoxalin-2-yl]acetamide.
Chemical Property Profile of 3K-014
Property Insights of 3K-014
The XLogP value of 4.5504 indicates that 3K-014 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.45 Ų, 3K-014 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3K-014 has 0 hydrogen bond donor(s) and 3 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-014?
The CAS number of 3K-014 is 338412-27-4.
What is the molecular formula of 3K-014?
The molecular formula of 3K-014 is C20H16ClF3N4O.
What is the molecular weight of 3K-014?
The molecular weight of 3K-014 is 420.10 g/mol.
Where can I buy 3K-014?
You can request a quote for 3K-014 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3K-014?
Yes, KEHONG BIO provides custom synthesis services for 3K-014 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.