3K-532S
TL;DR: 3K-532S (CAS 338412-65-0) is a chemical compound with molecular formula C19H14F3N3O4 and molecular weight 405.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-2,4-dioxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-6-carboxamide
Also Known As: 3K-532S, 1-benzyl-6-hydroxy-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,2-dihydro-4-pyrimidinecarboxamide, 3-benzyl-2,4-dioxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-6-carboxamide, 1-benzyl-2,6-dioxo-N-[4-(trifluoromethoxy)phenyl]-3H-pyrimidine-4-carboxamide, 1-benzyl-6-hydroxy-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1,2-dihydropyrimidine-4-carboxamide
| Molecular Formula | C19H14F3N3O4 |
|---|---|
| Molecular Weight | 405.09 g/mol |
| LogP | 2.7358 |
| Topological Polar Surface Area | 93.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.09363 |
| Heavy Atoms | 29 |
| Complexity | 1089.1716 |
Chemical Identifiers
| CAS Number | 338412-65-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C=C(NC2=O)C(=O)NC3=CC=C(C=C3)OC(F)(F)F |
Product Overview
3K-532S (CAS 338412-65-0), with molecular formula C19H14F3N3O4 and molecular weight 405.09 g/mol. IUPAC: 3-benzyl-2,4-dioxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-6-carboxamide.
Chemical Property Profile of 3K-532S
Property Insights of 3K-532S
The XLogP value of 2.7358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3K-532S. The TPSA of 93.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 3K-532S. Following Lipinski's Rule of Five, 3K-532S has 2 hydrogen bond donor(s) and 4 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-532S?
The CAS number of 3K-532S is 338412-65-0.
What is the molecular formula of 3K-532S?
The molecular formula of 3K-532S is C19H14F3N3O4.
What is the molecular weight of 3K-532S?
The molecular weight of 3K-532S is 405.09 g/mol.
Where can I buy 3K-532S?
You can request a quote for 3K-532S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3K-532S?
Yes, KEHONG BIO provides custom synthesis services for 3K-532S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.