4(1H)-Pyridinone, 1-methyl-3-(1-oxobutyl)-5-(3-(trifluoromethyl)phenyl)-
TL;DR: 4(1H)-Pyridinone, 1-methyl-3-(1-oxobutyl)-5-(3-(trifluoromethyl)phenyl)- (CAS 82129-69-9) is a chemical compound with molecular formula C17H16F3NO2 and molecular weight 323.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butanoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
Also Known As: 4(1H)-Pyridinone, 1-methyl-3-(1-oxobutyl)-5-(3-(trifluoromethyl)phenyl)-, 1-Methyl-3-(1-oxobutyl)-5-(3-(trifluoromethyl)phenyl)-4(1H)-pyridinone, 3-butanoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one, 3-butanoyl-1-methyl-5-[3- phenyl]pyridin-4-one, 4(1H)-Pyridinone, 1-methyl-3-(1-oxobutyl)-5-[3-(trifluoromethyl)phenyl]-
| Molecular Formula | C17H16F3NO2 |
|---|---|
| Molecular Weight | 323.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.1133 |
| Heavy Atoms | 23 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 82129-69-9 |
|---|---|
| SMILES | CCCC(=O)C1=CN(C=C(C1=O)C2=CC(=CC=C2)C(F)(F)F)C |
| InChIKey | LBVMSONAOSABQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4(1H)-Pyridinone, 1-methyl-3-(1-oxobutyl)-5-(3-(trifluoromethyl)phenyl)- (CAS 82129-69-9), with molecular formula C17H16F3NO2 and molecular weight 323.11 g/mol. IUPAC: 3-butanoyl-1-methyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one.
Chemical Property Profile of 4(1H)-Pyridinone, 1-methyl-3-(1-oxobutyl)-5-(3-(trifluoromethyl)phenyl)-
Property Insights of 4(1H)-Pyridinone, 1-methyl-3-(1-oxobutyl)-5-(3-(trifluoromethyl)phenyl)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4(1H)-Pyridinone, 1-methyl-3-(1-oxobutyl)-5-(3-(trifluoromethyl)phenyl)-. With a topological polar surface area (TPSA) of 37.4 Ų, 4(1H)-Pyridinone, 1-methyl-3-(1-oxobutyl)-5-(3-(trifluoromethyl)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4(1H)-Pyridinone, 1-methyl-3-(1-oxobutyl)-5-(3-(trifluoromethyl)phenyl)- has 0 hydrogen bond donor(s) and 6 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 4(1H)-Pyridinone, 1-methyl-3-(1-oxobutyl)-5-(3-(trifluoromethyl)phenyl)-?
The CAS number of 4(1H)-Pyridinone, 1-methyl-3-(1-oxobutyl)-5-(3-(trifluoromethyl)phenyl)- is 82129-69-9.
What is the molecular formula of 4(1H)-Pyridinone, 1-methyl-3-(1-oxobutyl)-5-(3-(trifluoromethyl)phenyl)-?
The molecular formula of 4(1H)-Pyridinone, 1-methyl-3-(1-oxobutyl)-5-(3-(trifluoromethyl)phenyl)- is C17H16F3NO2.
What is the molecular weight of 4(1H)-Pyridinone, 1-methyl-3-(1-oxobutyl)-5-(3-(trifluoromethyl)phenyl)-?
The molecular weight of 4(1H)-Pyridinone, 1-methyl-3-(1-oxobutyl)-5-(3-(trifluoromethyl)phenyl)- is 323.11 g/mol.
Where can I buy 4(1H)-Pyridinone, 1-methyl-3-(1-oxobutyl)-5-(3-(trifluoromethyl)phenyl)-?
You can request a quote for 4(1H)-Pyridinone, 1-methyl-3-(1-oxobutyl)-5-(3-(trifluoromethyl)phenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4(1H)-Pyridinone, 1-methyl-3-(1-oxobutyl)-5-(3-(trifluoromethyl)phenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 4(1H)-Pyridinone, 1-methyl-3-(1-oxobutyl)-5-(3-(trifluoromethyl)phenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.