Dinobuton
TL;DR: Dinobuton (CAS 973-21-7) is a chemical compound with molecular formula C14H18N2O7 and molecular weight 326.11 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) propan-2-yl carbonate
Also Known As: Dinobuton, Drawinol, Acrex, Dinofen, Kasebon
| Molecular Formula | C14H18N2O7 |
|---|---|
| Molecular Weight | 326.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 326.1114 |
| Heavy Atoms | 23 |
| Complexity | 443.0 |
| Melting Point | 56-57 °C |
| Solubility | SOL IN ALIPHATIC HYDROCARBONS, ETHANOL, FATTY OILS; HIGHLY SOL IN LOWER ALIPHATIC KETONES, AROMATIC HYDROCARBONS |
| Vapor Pressure | 0.0000011 [mmHg] |
Chemical Identifiers
| CAS Number | 973-21-7 |
|---|---|
| SMILES | CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)OC(C)C |
| InChIKey | HDWLUGYOLUHEMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dinobuton (CAS 973-21-7), with molecular formula C14H18N2O7 and molecular weight 326.11 g/mol. IUPAC: (2-butan-2-yl-4,6-dinitrophenyl) propan-2-yl carbonate.
Chemical Property Profile of Dinobuton
Property Insights of Dinobuton
The XLogP value of 4.3 indicates that Dinobuton is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dinobuton. Following Lipinski's Rule of Five, Dinobuton has 0 hydrogen bond donor(s) and 7 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 Dinobuton?
The CAS number of Dinobuton is 973-21-7.
What is the molecular formula of Dinobuton?
The molecular formula of Dinobuton is C14H18N2O7.
What is the molecular weight of Dinobuton?
The molecular weight of Dinobuton is 326.11 g/mol.
Where can I buy Dinobuton?
You can request a quote for Dinobuton directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dinobuton?
Yes, KEHONG BIO provides custom synthesis services for Dinobuton and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.