双乙酮
TL;DR: 双乙酮 (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.
双乙酮
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
双乙酮 (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 双乙酮
Property Insights of 双乙酮
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 双乙酮. With a topological polar surface area (TPSA) of 46.2 Ų, 双乙酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 双乙酮 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 双乙酮?
The CAS number of 双乙酮 is 77-04-3.
What is the molecular formula of 双乙酮?
The molecular formula of 双乙酮 is C9H13NO2.
What is the molecular weight of 双乙酮?
The molecular weight of 双乙酮 is 167.09 g/mol.
Where can I buy 双乙酮?
You can request a quote for 双乙酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双乙酮?
Yes, KEHONG BIO provides custom synthesis services for 双乙酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.