4-Hydroxy-1-(3-Pyridyl)-1-Butanone
TL;DR: 4-Hydroxy-1-(3-Pyridyl)-1-Butanone (CAS 59578-62-0) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-1-pyridin-3-ylbutan-1-one
Also Known As: 4-Hydroxy-1-(3-pyridyl)-1-butanone, 4-HYDROXY-1-(PYRIDIN-3-YL)BUTAN-1-ONE, HPB cpd, 4-HPB, 4-hydroxy-1-pyridin-3-ylbutan-1-one
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H11NO2 |
| Molecular Weight | 165.07898 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 165.07898 Da |
| Heavy Atoms | 12 |
| Complexity | 147.0 |
| SMILES | C1=CC(=CN=C1)C(=O)CCCO |
| InChIKey | KTXUGZHJVRHQGP-UHFFFAOYSA-N |
Chemical Property Profile of 4-Hydroxy-1-(3-Pyridyl)-1-Butanone
Property Insights of 4-Hydroxy-1-(3-Pyridyl)-1-Butanone
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-1-(3-Pyridyl)-1-Butanone. With a topological polar surface area (TPSA) of 50.2 Ų, 4-Hydroxy-1-(3-Pyridyl)-1-Butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-1-(3-Pyridyl)-1-Butanone has 1 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-Hydroxy-1-(3-Pyridyl)-1-Butanone?
The CAS number of 4-Hydroxy-1-(3-Pyridyl)-1-Butanone is 59578-62-0.
What is the molecular formula of 4-Hydroxy-1-(3-Pyridyl)-1-Butanone?
The molecular formula of 4-Hydroxy-1-(3-Pyridyl)-1-Butanone is C9H11NO2.
What is the molecular weight of 4-Hydroxy-1-(3-Pyridyl)-1-Butanone?
The molecular weight of 4-Hydroxy-1-(3-Pyridyl)-1-Butanone is 165.07898 g/mol.
Where can I buy 4-Hydroxy-1-(3-Pyridyl)-1-Butanone?
You can request a quote for 4-Hydroxy-1-(3-Pyridyl)-1-Butanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hydroxy-1-(3-Pyridyl)-1-Butanone?
Yes, CoreyChem provides custom synthesis services for 4-Hydroxy-1-(3-Pyridyl)-1-Butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.