1-Methyl-3-propyl-5-(3-(trifluoromethyl)phenyl)pyridin-4-one
TL;DR: 1-Methyl-3-propyl-5-(3-(trifluoromethyl)phenyl)pyridin-4-one (CAS 59757-50-5) is a chemical compound with molecular formula C16H16F3NO and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-propyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
Also Known As: 1-Methyl-3-propyl-5-(3-(trifluoromethyl)phenyl)pyridin-4-one, 1-methyl-3-propyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one, 1-Methyl-3-propyl-5-[3-(trifluoromethyl)phenyl]pyridin-4(1H)-one, 1-methyl-3-propyl-5-[3-(trifluoromethyl)phenyl]-1,4-dihydropyridin-4-one
| Molecular Formula | C16H16F3NO |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.1184 |
| Heavy Atoms | 21 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 59757-50-5 |
|---|---|
| SMILES | CCCC1=CN(C=C(C1=O)C2=CC(=CC=C2)C(F)(F)F)C |
| InChIKey | QDBRDBMHBBGAJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-3-propyl-5-(3-(trifluoromethyl)phenyl)pyridin-4-one (CAS 59757-50-5), with molecular formula C16H16F3NO and molecular weight 295.12 g/mol. IUPAC: 1-methyl-3-propyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one.
Chemical Property Profile of 1-Methyl-3-propyl-5-(3-(trifluoromethyl)phenyl)pyridin-4-one
Property Insights of 1-Methyl-3-propyl-5-(3-(trifluoromethyl)phenyl)pyridin-4-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-propyl-5-(3-(trifluoromethyl)phenyl)pyridin-4-one. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Methyl-3-propyl-5-(3-(trifluoromethyl)phenyl)pyridin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-propyl-5-(3-(trifluoromethyl)phenyl)pyridin-4-one has 0 hydrogen bond donor(s) and 5 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 1-Methyl-3-propyl-5-(3-(trifluoromethyl)phenyl)pyridin-4-one?
The CAS number of 1-Methyl-3-propyl-5-(3-(trifluoromethyl)phenyl)pyridin-4-one is 59757-50-5.
What is the molecular formula of 1-Methyl-3-propyl-5-(3-(trifluoromethyl)phenyl)pyridin-4-one?
The molecular formula of 1-Methyl-3-propyl-5-(3-(trifluoromethyl)phenyl)pyridin-4-one is C16H16F3NO.
What is the molecular weight of 1-Methyl-3-propyl-5-(3-(trifluoromethyl)phenyl)pyridin-4-one?
The molecular weight of 1-Methyl-3-propyl-5-(3-(trifluoromethyl)phenyl)pyridin-4-one is 295.12 g/mol.
Where can I buy 1-Methyl-3-propyl-5-(3-(trifluoromethyl)phenyl)pyridin-4-one?
You can request a quote for 1-Methyl-3-propyl-5-(3-(trifluoromethyl)phenyl)pyridin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-propyl-5-(3-(trifluoromethyl)phenyl)pyridin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-propyl-5-(3-(trifluoromethyl)phenyl)pyridin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.