1-(4-Pyridinyl)-1-butanone
TL;DR: 1-(4-Pyridinyl)-1-butanone (CAS 1701-71-9) is a chemical compound with molecular formula C9H11NO and molecular weight 149.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyridin-4-ylbutan-1-one
Also Known As: 4-Butyrylpyridine, 1-(pyridin-4-yl)butan-1-one, Propyl 4-pyridyl ketone, 4-butanoylpyridine, Pyridine, 4-butyryl-
| Molecular Formula | C9H11NO |
|---|---|
| Molecular Weight | 149.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 149.08406 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 1701-71-9 |
|---|---|
| SMILES | CCCC(=O)C1=CC=NC=C1 |
| InChIKey | FHHKAXDNIISDHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Pyridinyl)-1-butanone (CAS 1701-71-9), with molecular formula C9H11NO and molecular weight 149.08 g/mol. IUPAC: 1-pyridin-4-ylbutan-1-one.
Chemical Property Profile of 1-(4-Pyridinyl)-1-butanone
Property Insights of 1-(4-Pyridinyl)-1-butanone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Pyridinyl)-1-butanone. With a topological polar surface area (TPSA) of 30.0 Ų, 1-(4-Pyridinyl)-1-butanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Pyridinyl)-1-butanone has 0 hydrogen bond donor(s) and 2 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-(4-Pyridinyl)-1-butanone?
The CAS number of 1-(4-Pyridinyl)-1-butanone is 1701-71-9.
What is the molecular formula of 1-(4-Pyridinyl)-1-butanone?
The molecular formula of 1-(4-Pyridinyl)-1-butanone is C9H11NO.
What is the molecular weight of 1-(4-Pyridinyl)-1-butanone?
The molecular weight of 1-(4-Pyridinyl)-1-butanone is 149.08 g/mol.
Where can I buy 1-(4-Pyridinyl)-1-butanone?
You can request a quote for 1-(4-Pyridinyl)-1-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Pyridinyl)-1-butanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Pyridinyl)-1-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.