Binapacryl
TL;DR: Binapacryl (CAS 485-31-4) is a chemical compound with molecular formula C15H18N2O6 and molecular weight 322.12 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) 3-methylbut-2-enoate
Also Known As: Morocide, Acricid, Endosan, Ambox, Dinapacryl
| Molecular Formula | C15H18N2O6 |
|---|---|
| Molecular Weight | 322.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.1165 |
| Heavy Atoms | 23 |
| Complexity | 489.0 |
| Melting Point | 66-67 °C |
| Density | 1.2307 @ 20 °C |
| Solubility | Insoluble in water but soluble in organic solvents as follows: acetone 78%; ethanol 11%; isophorone 57%; kerosene 10%; xylene 70% |
| Vapor Pressure | 0.00000032 [mmHg] |
Chemical Identifiers
| CAS Number | 485-31-4 |
|---|---|
| SMILES | CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C |
| InChIKey | ZRDUSMYWDRPZRM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Binapacryl (CAS 485-31-4), with molecular formula C15H18N2O6 and molecular weight 322.12 g/mol. IUPAC: (2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate.
Chemical Property Profile of Binapacryl
Property Insights of Binapacryl
The XLogP value of 4.6 indicates that Binapacryl 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 Binapacryl. Following Lipinski's Rule of Five, Binapacryl 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 Binapacryl?
The CAS number of Binapacryl is 485-31-4.
What is the molecular formula of Binapacryl?
The molecular formula of Binapacryl is C15H18N2O6.
What is the molecular weight of Binapacryl?
The molecular weight of Binapacryl is 322.12 g/mol.
Where can I buy Binapacryl?
You can request a quote for Binapacryl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Binapacryl?
Yes, KEHONG BIO provides custom synthesis services for Binapacryl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.