1-Phenyl-3-pyridin-3-ylpropane-1,3-dione
TL;DR: 1-Phenyl-3-pyridin-3-ylpropane-1,3-dione (CAS 114506-93-3) is a chemical compound with molecular formula C14H11NO2 and molecular weight 225.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-pyridin-3-ylpropane-1,3-dione
Also Known As: 1-phenyl-3-pyridin-3-ylpropane-1,3-dione, 1-phenyl-3-(pyridin-3-yl)propane-1,3-dione, 1,3-Propanedione,1-phenyl-3-(3-pyridinyl)-, 3-phenyl-1-(3-pyridyl)propane-1,3-dione, 1-phenyl-3-(3-pyridyl)-1,3-propanedione
| Molecular Formula | C14H11NO2 |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 47.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.07898 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 114506-93-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(=O)C2=CN=CC=C2 |
| InChIKey | FOMJZUPHLPTMFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-3-pyridin-3-ylpropane-1,3-dione (CAS 114506-93-3), with molecular formula C14H11NO2 and molecular weight 225.08 g/mol. IUPAC: 1-phenyl-3-pyridin-3-ylpropane-1,3-dione.
Chemical Property Profile of 1-Phenyl-3-pyridin-3-ylpropane-1,3-dione
Property Insights of 1-Phenyl-3-pyridin-3-ylpropane-1,3-dione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-3-pyridin-3-ylpropane-1,3-dione. With a topological polar surface area (TPSA) of 47.0 Ų, 1-Phenyl-3-pyridin-3-ylpropane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3-pyridin-3-ylpropane-1,3-dione has 0 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 1-Phenyl-3-pyridin-3-ylpropane-1,3-dione?
The CAS number of 1-Phenyl-3-pyridin-3-ylpropane-1,3-dione is 114506-93-3.
What is the molecular formula of 1-Phenyl-3-pyridin-3-ylpropane-1,3-dione?
The molecular formula of 1-Phenyl-3-pyridin-3-ylpropane-1,3-dione is C14H11NO2.
What is the molecular weight of 1-Phenyl-3-pyridin-3-ylpropane-1,3-dione?
The molecular weight of 1-Phenyl-3-pyridin-3-ylpropane-1,3-dione is 225.08 g/mol.
Where can I buy 1-Phenyl-3-pyridin-3-ylpropane-1,3-dione?
You can request a quote for 1-Phenyl-3-pyridin-3-ylpropane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-pyridin-3-ylpropane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-pyridin-3-ylpropane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.