噁草酮
TL;DR: 噁草酮 (CAS 19666-30-9) is a chemical compound with molecular formula C15H18Cl2N2O3 and molecular weight 344.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
噁草酮
5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one
Also Known As: OXADIAZON, Ronstar, Oxadiazone, Oxydiazon, Foresite
| Molecular Formula | C15H18Cl2N2O3 |
|---|---|
| Molecular Weight | 344.07 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.06946 |
| Heavy Atoms | 22 |
| Complexity | 462.0 |
| Melting Point | 90 °C |
| Density | 1.26 mg/l |
| Solubility | Solubility in methanol, ethanol ca 100, cyclohexane 200, acetone, isophorone, methyl ethyl ketone, carbon tetrachloride ca 600, toluene, benzene, chloroform ca 1000 (all in g/l, 20 °C) |
| Vapor Pressure | 0.00000011 [mmHg] |
Chemical Identifiers
| CAS Number | 19666-30-9 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C(=C1)N2C(=O)OC(=N2)C(C)(C)C)Cl)Cl |
| InChIKey | CHNUNORXWHYHNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
噁草酮 (CAS 19666-30-9), with molecular formula C15H18Cl2N2O3 and molecular weight 344.07 g/mol. IUPAC: 5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one.
Chemical Property Profile of 噁草酮
Property Insights of 噁草酮
The XLogP value of 4.8 indicates that 噁草酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 噁草酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 噁草酮 has 0 hydrogen bond donor(s) and 4 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 噁草酮?
The CAS number of 噁草酮 is 19666-30-9.
What is the molecular formula of 噁草酮?
The molecular formula of 噁草酮 is C15H18Cl2N2O3.
What is the molecular weight of 噁草酮?
The molecular weight of 噁草酮 is 344.07 g/mol.
Where can I buy 噁草酮?
You can request a quote for 噁草酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 噁草酮?
Yes, KEHONG BIO provides custom synthesis services for 噁草酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.