3K-548S
TL;DR: 3K-548S (CAS 338412-75-2) is a chemical compound with molecular formula C18H13F2N3O3 and molecular weight 357.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-N-(2,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
Also Known As: 3K-548S, 1-benzyl-N-(2,4-difluorophenyl)-6-hydroxy-2-oxo-1,2-dihydro-4-pyrimidinecarboxamide, 3-benzyl-N-(2,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide, 1-benzyl-N-(2,4-difluorophenyl)-2,6-dioxo-3H-pyrimidine-4-carboxamide, 1-benzyl-N-(2,4-difluorophenyl)-6-hydroxy-2-oxo-1,2-dihydropyrimidine-4-carboxamide
| Molecular Formula | C18H13F2N3O3 |
|---|---|
| Molecular Weight | 357.09 g/mol |
| LogP | 2.1154 |
| Topological Polar Surface Area | 83.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.0925 |
| Heavy Atoms | 26 |
| Complexity | 1043.7797 |
Chemical Identifiers
| CAS Number | 338412-75-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C=C(NC2=O)C(=O)NC3=C(C=C(C=C3)F)F |
Product Overview
3K-548S (CAS 338412-75-2), with molecular formula C18H13F2N3O3 and molecular weight 357.09 g/mol. IUPAC: 3-benzyl-N-(2,4-difluorophenyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide.
Chemical Property Profile of 3K-548S
Property Insights of 3K-548S
The XLogP value of 2.1154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3K-548S. The TPSA of 83.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 3K-548S. Following Lipinski's Rule of Five, 3K-548S 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 3K-548S?
The CAS number of 3K-548S is 338412-75-2.
What is the molecular formula of 3K-548S?
The molecular formula of 3K-548S is C18H13F2N3O3.
What is the molecular weight of 3K-548S?
The molecular weight of 3K-548S is 357.09 g/mol.
Where can I buy 3K-548S?
You can request a quote for 3K-548S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3K-548S?
Yes, KEHONG BIO provides custom synthesis services for 3K-548S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.