甲乙双酮
TL;DR: 甲乙双酮 (CAS 115-67-3) is a chemical compound with molecular formula C7H11NO3 and molecular weight 157.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲乙双酮
5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione
Also Known As: PARAMETHADIONE, Parametadione, Paradione, Isoethadione, Paramethadionum
| Molecular Formula | C7H11NO3 |
|---|---|
| Molecular Weight | 157.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.0739 |
| Heavy Atoms | 11 |
| Complexity | 214.0 |
| Melting Point | 31-32 °C |
| Boiling Point | 101.5 |
| Density | 1.118-1.1240 @ 25 °C/4 DEG |
| Solubility | 8.4 |
| Refractive Index | 1.449 @ 25 °C |
Chemical Identifiers
| CAS Number | 115-67-3 |
|---|---|
| SMILES | CCC1(C(=O)N(C(=O)O1)C)C |
| InChIKey | VQASKUSHBVDKGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲乙双酮 (CAS 115-67-3), with molecular formula C7H11NO3 and molecular weight 157.07 g/mol. IUPAC: 5-ethyl-3,5-dimethyl-1,3-oxazolidine-2,4-dione.
Chemical Property Profile of 甲乙双酮
Property Insights of 甲乙双酮
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲乙双酮. With a topological polar surface area (TPSA) of 46.6 Ų, 甲乙双酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲乙双酮 has 0 hydrogen bond donor(s) and 3 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 甲乙双酮?
The CAS number of 甲乙双酮 is 115-67-3.
What is the molecular formula of 甲乙双酮?
The molecular formula of 甲乙双酮 is C7H11NO3.
What is the molecular weight of 甲乙双酮?
The molecular weight of 甲乙双酮 is 157.07 g/mol.
Where can I buy 甲乙双酮?
You can request a quote for 甲乙双酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲乙双酮?
Yes, KEHONG BIO provides custom synthesis services for 甲乙双酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.