2K-507S
TL;DR: 2K-507S (CAS 861208-47-1) is a chemical compound with molecular formula C13H10F3N3O3 and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxamide
Also Known As: 2K-507S, 6-hydroxy-1-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,2-dihydro-4-pyrimidinecarboxamide, 6-hydroxy-1-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrimidine-4-carboxamide, 3-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxamide, 1-methyl-2,6-dioxo-N-[3-(trifluoromethyl)phenyl]-3H-pyrimidine-4-carboxamide
| Molecular Formula | C13H10F3N3O3 |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 1.3447 |
| Topological Polar Surface Area | 83.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.0674 |
| Heavy Atoms | 22 |
| Complexity | 805.39465 |
Chemical Identifiers
| CAS Number | 861208-47-1 |
|---|---|
| SMILES | CN1C(=O)C=C(NC1=O)C(=O)NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
2K-507S (CAS 861208-47-1), with molecular formula C13H10F3N3O3 and molecular weight 313.07 g/mol. IUPAC: 3-methyl-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-6-carboxamide.
Chemical Property Profile of 2K-507S
Property Insights of 2K-507S
The XLogP value of 1.3447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2K-507S. The TPSA of 83.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 2K-507S. Following Lipinski's Rule of Five, 2K-507S 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-507S?
The CAS number of 2K-507S is 861208-47-1.
What is the molecular formula of 2K-507S?
The molecular formula of 2K-507S is C13H10F3N3O3.
What is the molecular weight of 2K-507S?
The molecular weight of 2K-507S is 313.07 g/mol.
Where can I buy 2K-507S?
You can request a quote for 2K-507S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2K-507S?
Yes, KEHONG BIO provides custom synthesis services for 2K-507S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.