吡西二酮
TL;DR: 吡西二酮 (CAS 77-04-3) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
吡西二酮
3,3-diethyl-1H-pyridine-2,4-dione
Also Known As: pyrithyldione, Persedon, Didropyridine, Pyrithyldion, Benedorm
| Molecular Formula | C9H13NO2 |
|---|---|
| Molecular Weight | 167.09 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.09464 |
| Heavy Atoms | 12 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 77-04-3 |
|---|---|
| SMILES | CCC1(C(=O)C=CNC1=O)CC |
| InChIKey | NZASCBIBXNPDMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
吡西二酮 (CAS 77-04-3), with molecular formula C9H13NO2 and molecular weight 167.09 g/mol. IUPAC: 3,3-diethyl-1H-pyridine-2,4-dione.
Chemical Property Profile of 吡西二酮
Property Insights of 吡西二酮
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 吡西二酮. With a topological polar surface area (TPSA) of 46.2 Ų, 吡西二酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 吡西二酮 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 吡西二酮?
The CAS number of 吡西二酮 is 77-04-3.
What is the molecular formula of 吡西二酮?
The molecular formula of 吡西二酮 is C9H13NO2.
What is the molecular weight of 吡西二酮?
The molecular weight of 吡西二酮 is 167.09 g/mol.
Where can I buy 吡西二酮?
You can request a quote for 吡西二酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 吡西二酮?
Yes, KEHONG BIO provides custom synthesis services for 吡西二酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.