1-Phenyl-2-pyridin-4-ylethane-1,2-dione
TL;DR: 1-Phenyl-2-pyridin-4-ylethane-1,2-dione (CAS 35959-69-4) is a chemical compound with molecular formula C13H9NO2 and molecular weight 211.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-2-pyridin-4-ylethane-1,2-dione
Also Known As: phenyl-pyridin-4-yl-ethanedione, 1-phenyl-2-pyridin-4-ylethane-1,2-dione, 1-phenyl-2-(pyridin-4-yl)ethane-1,2-dione, 1 -phenyl-2-(4-pyridinyl)ethanedione, 1-Phenyl-2-(4-pyridyl)ethane-1,2-dione
| Molecular Formula | C13H9NO2 |
|---|---|
| Molecular Weight | 211.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 47.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.06332 |
| Heavy Atoms | 16 |
| Complexity | 263.0 |
Chemical Identifiers
| CAS Number | 35959-69-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C(=O)C2=CC=NC=C2 |
| InChIKey | LXHDDNZEFUEFDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenyl-2-pyridin-4-ylethane-1,2-dione (CAS 35959-69-4), with molecular formula C13H9NO2 and molecular weight 211.06 g/mol. IUPAC: 1-phenyl-2-pyridin-4-ylethane-1,2-dione.
Chemical Property Profile of 1-Phenyl-2-pyridin-4-ylethane-1,2-dione
Property Insights of 1-Phenyl-2-pyridin-4-ylethane-1,2-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-2-pyridin-4-ylethane-1,2-dione. With a topological polar surface area (TPSA) of 47.0 Ų, 1-Phenyl-2-pyridin-4-ylethane-1,2-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-2-pyridin-4-ylethane-1,2-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-2-pyridin-4-ylethane-1,2-dione?
The CAS number of 1-Phenyl-2-pyridin-4-ylethane-1,2-dione is 35959-69-4.
What is the molecular formula of 1-Phenyl-2-pyridin-4-ylethane-1,2-dione?
The molecular formula of 1-Phenyl-2-pyridin-4-ylethane-1,2-dione is C13H9NO2.
What is the molecular weight of 1-Phenyl-2-pyridin-4-ylethane-1,2-dione?
The molecular weight of 1-Phenyl-2-pyridin-4-ylethane-1,2-dione is 211.06 g/mol.
Where can I buy 1-Phenyl-2-pyridin-4-ylethane-1,2-dione?
You can request a quote for 1-Phenyl-2-pyridin-4-ylethane-1,2-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-2-pyridin-4-ylethane-1,2-dione?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-2-pyridin-4-ylethane-1,2-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.