1-Phenyl-3-(4-pyridinyl)-1,3-propanedione
TL;DR: 1-Phenyl-3-(4-pyridinyl)-1,3-propanedione (CAS 6312-20-5) 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-4-ylpropane-1,3-dione
Also Known As: NCIStruc1_000629, NCIStruc2_000576, 1-phenyl-3-(4-pyridinyl)-1,3-propanedione, 1-phenyl-3-pyridin-4-ylpropane-1,3-dione, 1-PHENYL-3-(PYRIDIN-4-YL)PROPANE-1,3-DIONE
| Molecular Formula | C14H11NO2 |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 1.8 |
| 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 | 276.0 |
Chemical Identifiers
| CAS Number | 6312-20-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=NC=C2 |
| InChIKey | ALJURYJXCXVZFN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-3-(4-pyridinyl)-1,3-propanedione (CAS 6312-20-5), with molecular formula C14H11NO2 and molecular weight 225.08 g/mol. IUPAC: 1-phenyl-3-pyridin-4-ylpropane-1,3-dione.
Chemical Property Profile of 1-Phenyl-3-(4-pyridinyl)-1,3-propanedione
Property Insights of 1-Phenyl-3-(4-pyridinyl)-1,3-propanedione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-3-(4-pyridinyl)-1,3-propanedione. With a topological polar surface area (TPSA) of 47.0 Ų, 1-Phenyl-3-(4-pyridinyl)-1,3-propanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3-(4-pyridinyl)-1,3-propanedione 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-(4-pyridinyl)-1,3-propanedione?
The CAS number of 1-Phenyl-3-(4-pyridinyl)-1,3-propanedione is 6312-20-5.
What is the molecular formula of 1-Phenyl-3-(4-pyridinyl)-1,3-propanedione?
The molecular formula of 1-Phenyl-3-(4-pyridinyl)-1,3-propanedione is C14H11NO2.
What is the molecular weight of 1-Phenyl-3-(4-pyridinyl)-1,3-propanedione?
The molecular weight of 1-Phenyl-3-(4-pyridinyl)-1,3-propanedione is 225.08 g/mol.
Where can I buy 1-Phenyl-3-(4-pyridinyl)-1,3-propanedione?
You can request a quote for 1-Phenyl-3-(4-pyridinyl)-1,3-propanedione 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-(4-pyridinyl)-1,3-propanedione?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-(4-pyridinyl)-1,3-propanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.