Binapacryl
TL;DR: Binapacryl (CAS 485-31-4) is a chemical compound with molecular formula C15H18N2O6 and molecular weight 322.1165 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate
Also Known As: Morocide, Acricid, Endosan, Ambox, Dinapacryl
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H18N2O6 |
| Molecular Weight | 322.1165 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.1165 Da |
| Heavy Atoms | 23 |
| Complexity | 489.0 |
| Melting Point | 66-67 °C |
| Density | 1.2307 @ 20 °C/4 °C |
| Vapor Pressure | 0.00000032 [mmHg] |
| Solubility | Insoluble in water but soluble in organic solvents as follows: acetone 78%; ethanol 11%; isophorone 57%; kerosene 10%; xylene 70% |
| SMILES | CCC(C)C1=C(C(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-])OC(=O)C=C(C)C |
| InChIKey | ZRDUSMYWDRPZRM-UHFFFAOYSA-N |
Product Description
Applications: Binapacryl is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A heterocyclic building block supplied by CoreyChem, Binapacryl (CAS 485-31-4) has the molecular formula C15H18N2O6 and a molecular weight of 322.12 g/mol. Reported properties include a density of 1.2307 @ 20 °C/4 °C g/cm³, a solubility: Insoluble in water but soluble in organic solvents as follows: acetone 78%; ethanol 11%; isophorone 57%; kerosene 10%; xylene 70%. Synonyms include Morocide and Acricid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
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
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 322.1165 g/mol.
What are the applications of Binapacryl?
Binapacryl is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy Binapacryl?
You can request a quote for Binapacryl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Binapacryl?
Yes, CoreyChem provides custom synthesis services for Binapacryl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.