Cycloocta-2,6-dien-1-yl 3,5-dinitrobenzoate
TL;DR: Cycloocta-2,6-dien-1-yl 3,5-dinitrobenzoate (CAS 337468-02-7) is a chemical compound with molecular formula C15H14N2O6 and molecular weight 318.08517 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cycloocta-2,6-dien-1-yl 3,5-dinitrobenzoate
Also Known As: 2,6-cyclooctadien-1-yl 3,5-bisnitrobenzoate, cycloocta-2,6-dien-1-yl 3,5-dinitrobenzoate
Technical Specifications
| Molecular Formula | C15H14N2O6 |
| Molecular Weight | 318.08517 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.08517 Da |
| Heavy Atoms | 23 |
| Complexity | 497.0 |
| SMILES | C1CC=CC(CC=C1)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | XILVNCHRNLBBKU-UHFFFAOYSA-N |
Chemical Property Profile of Cycloocta-2,6-dien-1-yl 3,5-dinitrobenzoate
Property Insights of Cycloocta-2,6-dien-1-yl 3,5-dinitrobenzoate
The XLogP value of 3.5 indicates that Cycloocta-2,6-dien-1-yl 3,5-dinitrobenzoate 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 Cycloocta-2,6-dien-1-yl 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, Cycloocta-2,6-dien-1-yl 3,5-dinitrobenzoate 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 Cycloocta-2,6-dien-1-yl 3,5-dinitrobenzoate?
The CAS number of Cycloocta-2,6-dien-1-yl 3,5-dinitrobenzoate is 337468-02-7.
What is the molecular formula of Cycloocta-2,6-dien-1-yl 3,5-dinitrobenzoate?
The molecular formula of Cycloocta-2,6-dien-1-yl 3,5-dinitrobenzoate is C15H14N2O6.
What is the molecular weight of Cycloocta-2,6-dien-1-yl 3,5-dinitrobenzoate?
The molecular weight of Cycloocta-2,6-dien-1-yl 3,5-dinitrobenzoate is 318.08517 g/mol.
Where can I buy Cycloocta-2,6-dien-1-yl 3,5-dinitrobenzoate?
You can request a quote for Cycloocta-2,6-dien-1-yl 3,5-dinitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cycloocta-2,6-dien-1-yl 3,5-dinitrobenzoate?
Yes, CoreyChem provides custom synthesis services for Cycloocta-2,6-dien-1-yl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.