Dinoseb acetate
TL;DR: Dinoseb acetate (CAS 2813-95-8) is a chemical compound with molecular formula C12H14N2O6 and molecular weight 282.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-butan-2-yl-4,6-dinitrophenyl) acetate
Also Known As: DINOSEB ACETATE, Aretit, Ivosit, Dinoseb-acetate, Dinosebe acetate
| Molecular Formula | C12H14N2O6 |
|---|---|
| Molecular Weight | 282.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 282.08517 |
| Heavy Atoms | 20 |
| Complexity | 388.0 |
| Melting Point | 26 - 27 °C |
| Boiling Point | at 0.53kPa: 170 °C |
| Solubility | 2.2 mg/mL at 25 °C |
| Flash Point | >100 °C |
| Vapor Pressure | Vapor pressure, Pa at 20 °C: 0.08 |
Chemical Identifiers
| CAS Number | 2813-95-8 |
|---|---|
| SMILES | CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C |
| InChIKey | RDJTWDKSYLLHRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dinoseb acetate (CAS 2813-95-8), with molecular formula C12H14N2O6 and molecular weight 282.09 g/mol. IUPAC: (2-butan-2-yl-4,6-dinitrophenyl) acetate.
Chemical Property Profile of Dinoseb acetate
Property Insights of Dinoseb acetate
The XLogP value of 3.1 indicates that Dinoseb acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dinoseb acetate. Following Lipinski's Rule of Five, Dinoseb acetate has 0 hydrogen bond donor(s) and 6 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 Dinoseb acetate?
The CAS number of Dinoseb acetate is 2813-95-8.
What is the molecular formula of Dinoseb acetate?
The molecular formula of Dinoseb acetate is C12H14N2O6.
What is the molecular weight of Dinoseb acetate?
The molecular weight of Dinoseb acetate is 282.09 g/mol.
Where can I buy Dinoseb acetate?
You can request a quote for Dinoseb acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinoseb acetate?
Yes, KEHONG BIO provides custom synthesis services for Dinoseb acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.