![1-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-4(1H)-pyridinone structure](/static/products/3387/338757-95-2.webp)
1-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-4(1H)-pyridinone
TL;DR: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-4(1H)-pyridinone (CAS 338757-95-2) is a chemical compound with molecular formula C12H10F3N3O5 and molecular weight 333.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperidin-4-one
Also Known As: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperidin-4-one, 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-4(1H)-pyridinone, C12H10F3N3O5
| Molecular Formula | C12H10F3N3O5 |
|---|---|
| Molecular Weight | 333.06 g/mol |
| LogP | 2.6911 |
| Topological Polar Surface Area | 106.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.05725 |
| Heavy Atoms | 23 |
| Complexity | 644.0042 |
Chemical Identifiers
| CAS Number | 338757-95-2 |
|---|---|
| SMILES | C1CN(CCC1=O)C2=C(C=C(C=C2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
1-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-4(1H)-pyridinone (CAS 338757-95-2), with molecular formula C12H10F3N3O5 and molecular weight 333.06 g/mol. IUPAC: 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperidin-4-one.
Chemical Property Profile of 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-4(1H)-pyridinone
Property Insights of 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-4(1H)-pyridinone
The XLogP value of 2.6911 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-4(1H)-pyridinone. The TPSA of 106.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-4(1H)-pyridinone. Following Lipinski's Rule of Five, 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-4(1H)-pyridinone 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 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-4(1H)-pyridinone?
The CAS number of 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-4(1H)-pyridinone is 338757-95-2.
What is the molecular formula of 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-4(1H)-pyridinone?
The molecular formula of 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-4(1H)-pyridinone is C12H10F3N3O5.
What is the molecular weight of 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-4(1H)-pyridinone?
The molecular weight of 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-4(1H)-pyridinone is 333.06 g/mol.
Where can I buy 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-4(1H)-pyridinone?
You can request a quote for 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-4(1H)-pyridinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-4(1H)-pyridinone?
Yes, KEHONG BIO provides custom synthesis services for 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]tetrahydro-4(1H)-pyridinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.