异丙基2-吡啶基酮
TL;DR: 异丙基2-吡啶基酮 (CAS 59576-30-6) 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.
异丙基2-吡啶基酮
2-methyl-1-pyridin-2-ylpropan-1-one
Also Known As: Isopropyl 2-pyridyl ketone, 2-methyl-1-(pyridin-2-yl)propan-1-one, 2-Isobutyrylpyridine, isopropylpyridylketone, Isopropyl2-PyridylKetone
| Molecular Formula | C9H11NO |
|---|---|
| Molecular Weight | 149.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 149.08406 |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 59576-30-6 |
|---|---|
| SMILES | CC(C)C(=O)C1=CC=CC=N1 |
| InChIKey | OPPJOYDMQXHCFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
异丙基2-吡啶基酮 (CAS 59576-30-6), with molecular formula C9H11NO and molecular weight 149.08 g/mol. IUPAC: 2-methyl-1-pyridin-2-ylpropan-1-one.
Chemical Property Profile of 异丙基2-吡啶基酮
Property Insights of 异丙基2-吡啶基酮
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异丙基2-吡啶基酮. With a topological polar surface area (TPSA) of 30.0 Ų, 异丙基2-吡啶基酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丙基2-吡啶基酮 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 异丙基2-吡啶基酮?
The CAS number of 异丙基2-吡啶基酮 is 59576-30-6.
What is the molecular formula of 异丙基2-吡啶基酮?
The molecular formula of 异丙基2-吡啶基酮 is C9H11NO.
What is the molecular weight of 异丙基2-吡啶基酮?
The molecular weight of 异丙基2-吡啶基酮 is 149.08 g/mol.
Where can I buy 异丙基2-吡啶基酮?
You can request a quote for 异丙基2-吡啶基酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丙基2-吡啶基酮?
Yes, KEHONG BIO provides custom synthesis services for 异丙基2-吡啶基酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.