4,4-Dimethyl-1-(pyridin-4-yl)pentane-1,3-dione
TL;DR: 4,4-Dimethyl-1-(pyridin-4-yl)pentane-1,3-dione (CAS 104269-99-0) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4-dimethyl-1-pyridin-4-ylpentane-1,3-dione
Also Known As: 4,4-dimethyl-1-(pyridin-4-yl)pentane-1,3-dione, 4,4-dimethyl-1-pyridin-4-yl-pentane-1,3-dione, 1,3-Pentanedione,4,4-dimethyl-1-(4-pyridinyl)-, 4,4-dimethyl-1-pyridin-4-ylpentane-1,3-dione
Technical Specifications
| Molecular Formula | C12H15NO2 |
| Molecular Weight | 205.11028 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 47.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.11028 Da |
| Heavy Atoms | 15 |
| Complexity | 247.0 |
| SMILES | CC(C)(C)C(=O)CC(=O)C1=CC=NC=C1 |
| InChIKey | UDVGQWHYFLERJZ-UHFFFAOYSA-N |
Chemical Property Profile of 4,4-Dimethyl-1-(pyridin-4-yl)pentane-1,3-dione
Property Insights of 4,4-Dimethyl-1-(pyridin-4-yl)pentane-1,3-dione
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethyl-1-(pyridin-4-yl)pentane-1,3-dione. With a topological polar surface area (TPSA) of 47.0 Ų, 4,4-Dimethyl-1-(pyridin-4-yl)pentane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethyl-1-(pyridin-4-yl)pentane-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
What is the CAS number of 4,4-Dimethyl-1-(pyridin-4-yl)pentane-1,3-dione?
The CAS number of 4,4-Dimethyl-1-(pyridin-4-yl)pentane-1,3-dione is 104269-99-0.
What is the molecular formula of 4,4-Dimethyl-1-(pyridin-4-yl)pentane-1,3-dione?
The molecular formula of 4,4-Dimethyl-1-(pyridin-4-yl)pentane-1,3-dione is C12H15NO2.
What is the molecular weight of 4,4-Dimethyl-1-(pyridin-4-yl)pentane-1,3-dione?
The molecular weight of 4,4-Dimethyl-1-(pyridin-4-yl)pentane-1,3-dione is 205.11028 g/mol.
Where can I buy 4,4-Dimethyl-1-(pyridin-4-yl)pentane-1,3-dione?
You can request a quote for 4,4-Dimethyl-1-(pyridin-4-yl)pentane-1,3-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4-Dimethyl-1-(pyridin-4-yl)pentane-1,3-dione?
Yes, CoreyChem provides custom synthesis services for 4,4-Dimethyl-1-(pyridin-4-yl)pentane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.