1-Allyl-2(1H)-pyridinone
TL;DR: 1-Allyl-2(1H)-pyridinone (CAS 21997-30-8) 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-prop-2-enylpyridin-2-one
Also Known As: 1-Allyl-2(1H)-pyridinone, N-Allyl-2-pyridone, 1-prop-2-enylpyridin-2-one, 1-allyl-2-pyridone, 1-allylpyridin-2-one
| Molecular Formula | C8H9NO |
|---|---|
| Molecular Weight | 135.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 135.06842 |
| Heavy Atoms | 10 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 21997-30-8 |
|---|---|
| SMILES | C=CCN1C=CC=CC1=O |
| InChIKey | QXLAXTADFRGVIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Allyl-2(1H)-pyridinone (CAS 21997-30-8), with molecular formula C8H9NO and molecular weight 135.07 g/mol. IUPAC: 1-prop-2-enylpyridin-2-one.
Chemical Property Profile of 1-Allyl-2(1H)-pyridinone
Property Insights of 1-Allyl-2(1H)-pyridinone
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allyl-2(1H)-pyridinone. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Allyl-2(1H)-pyridinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-2(1H)-pyridinone has 0 hydrogen bond donor(s) and 1 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-Allyl-2(1H)-pyridinone?
The CAS number of 1-Allyl-2(1H)-pyridinone is 21997-30-8.
What is the molecular formula of 1-Allyl-2(1H)-pyridinone?
The molecular formula of 1-Allyl-2(1H)-pyridinone is C8H9NO.
What is the molecular weight of 1-Allyl-2(1H)-pyridinone?
The molecular weight of 1-Allyl-2(1H)-pyridinone is 135.07 g/mol.
Where can I buy 1-Allyl-2(1H)-pyridinone?
You can request a quote for 1-Allyl-2(1H)-pyridinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allyl-2(1H)-pyridinone?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-2(1H)-pyridinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.