2K-618S
TL;DR: 2K-618S (CAS 861208-52-8) is a chemical compound with molecular formula C13H9ClF3N3O3 and molecular weight 347.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
Also Known As: 2K-618S, N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydroxy-1-methyl-2-oxo-1,2-dihydro-4-pyrimidinecarboxamide, N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide, N-[4-chloro-2-(trifluoromethyl)phenyl]-6-hydroxy-1-methyl-2-oxo-1,2-dihydropyrimidine-4-carboxamide, N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methyl-2,6-dioxo-3H-pyrimidine-4-carboxamide
| Molecular Formula | C13H9ClF3N3O3 |
|---|---|
| Molecular Weight | 347.03 g/mol |
| LogP | 1.9981 |
| Topological Polar Surface Area | 83.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.02844 |
| Heavy Atoms | 23 |
| Complexity | 855.2493 |
Chemical Identifiers
| CAS Number | 861208-52-8 |
|---|---|
| SMILES | CN1C(=O)C=C(NC1=O)C(=O)NC2=C(C=C(C=C2)Cl)C(F)(F)F |
Product Overview
2K-618S (CAS 861208-52-8), with molecular formula C13H9ClF3N3O3 and molecular weight 347.03 g/mol. IUPAC: N-[4-chloro-2-(trifluoromethyl)phenyl]-3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide.
Chemical Property Profile of 2K-618S
Property Insights of 2K-618S
The XLogP value of 1.9981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2K-618S. The TPSA of 83.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 2K-618S. Following Lipinski's Rule of Five, 2K-618S has 2 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 2K-618S?
The CAS number of 2K-618S is 861208-52-8.
What is the molecular formula of 2K-618S?
The molecular formula of 2K-618S is C13H9ClF3N3O3.
What is the molecular weight of 2K-618S?
The molecular weight of 2K-618S is 347.03 g/mol.
Where can I buy 2K-618S?
You can request a quote for 2K-618S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2K-618S?
Yes, KEHONG BIO provides custom synthesis services for 2K-618S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.