二乙哌啶二酮
TL;DR: 二乙哌啶二酮 (CAS 77-03-2) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二乙哌啶二酮
3,3-diethylpiperidine-2,4-dione
Also Known As: PIPERIDIONE, Dihyprylone, Dihyprylon, Sedulon, Piperidion
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 77-03-2 |
|---|---|
| SMILES | CCC1(C(=O)CCNC1=O)CC |
| InChIKey | RGEVWUKXWFOAID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二乙哌啶二酮 (CAS 77-03-2), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: 3,3-diethylpiperidine-2,4-dione.
Chemical Property Profile of 二乙哌啶二酮
Property Insights of 二乙哌啶二酮
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二乙哌啶二酮. With a topological polar surface area (TPSA) of 46.2 Ų, 二乙哌啶二酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二乙哌啶二酮 has 1 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 二乙哌啶二酮?
The CAS number of 二乙哌啶二酮 is 77-03-2.
What is the molecular formula of 二乙哌啶二酮?
The molecular formula of 二乙哌啶二酮 is C9H15NO2.
What is the molecular weight of 二乙哌啶二酮?
The molecular weight of 二乙哌啶二酮 is 169.11 g/mol.
Where can I buy 二乙哌啶二酮?
You can request a quote for 二乙哌啶二酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二乙哌啶二酮?
Yes, KEHONG BIO provides custom synthesis services for 二乙哌啶二酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.