1-(4-Pyridinyl)-1-propanone
TL;DR: 1-(4-Pyridinyl)-1-propanone (CAS 1701-69-5) is a chemical compound with molecular formula C8H9NO and molecular weight 135.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyridin-4-ylpropan-1-one
Also Known As: 4-Propionylpyridine, 1-(pyridin-4-yl)propan-1-one, 4-Pyridyl ethyl ketone, Ethyl 4-pyridyl ketone, 1-(4-Pyridinyl)-1-propanone
| Molecular Formula | C8H9NO |
|---|---|
| Molecular Weight | 135.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 135.06842 |
| Heavy Atoms | 10 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 1701-69-5 |
|---|---|
| SMILES | CCC(=O)C1=CC=NC=C1 |
| InChIKey | AFHFHXVRHACYSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Pyridinyl)-1-propanone (CAS 1701-69-5), with molecular formula C8H9NO and molecular weight 135.07 g/mol. IUPAC: 1-pyridin-4-ylpropan-1-one.
Chemical Property Profile of 1-(4-Pyridinyl)-1-propanone
Property Insights of 1-(4-Pyridinyl)-1-propanone
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Pyridinyl)-1-propanone. With a topological polar surface area (TPSA) of 30.0 Ų, 1-(4-Pyridinyl)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Pyridinyl)-1-propanone 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-propanone?
The CAS number of 1-(4-Pyridinyl)-1-propanone is 1701-69-5.
What is the molecular formula of 1-(4-Pyridinyl)-1-propanone?
The molecular formula of 1-(4-Pyridinyl)-1-propanone is C8H9NO.
What is the molecular weight of 1-(4-Pyridinyl)-1-propanone?
The molecular weight of 1-(4-Pyridinyl)-1-propanone is 135.07 g/mol.
Where can I buy 1-(4-Pyridinyl)-1-propanone?
You can request a quote for 1-(4-Pyridinyl)-1-propanone 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-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Pyridinyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.