(E)-But-2-enyl 3,5-dinitrobenzoate
TL;DR: (E)-But-2-enyl 3,5-dinitrobenzoate (CAS 103413-86-1) is a chemical compound with molecular formula C11H10N2O6 and molecular weight 266.0539 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-but-2-enyl] 3,5-dinitrobenzoate
Also Known As: (E)-But-2-enyl 3,5-dinitrobenzoate, [(E)-but-2-enyl] 3,5-dinitrobenzoate, 3,5-dinitro-benzoic acid but-2t-enyl ester, Benzoic acid, 3,5-dinitro, (E)-2-butenyl ester
Technical Specifications
| Molecular Formula | C11H10N2O6 |
| Molecular Weight | 266.0539 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.0539 Da |
| Heavy Atoms | 19 |
| Complexity | 362.0 |
| SMILES | C/C=C/COC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WFJDNVCWKBAFND-NSCUHMNNSA-N |
Chemical Property Profile of (E)-But-2-enyl 3,5-dinitrobenzoate
Property Insights of (E)-But-2-enyl 3,5-dinitrobenzoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-But-2-enyl 3,5-dinitrobenzoate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-But-2-enyl 3,5-dinitrobenzoate. Following Lipinski's Rule of Five, (E)-But-2-enyl 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 (E)-But-2-enyl 3,5-dinitrobenzoate?
The CAS number of (E)-But-2-enyl 3,5-dinitrobenzoate is 103413-86-1.
What is the molecular formula of (E)-But-2-enyl 3,5-dinitrobenzoate?
The molecular formula of (E)-But-2-enyl 3,5-dinitrobenzoate is C11H10N2O6.
What is the molecular weight of (E)-But-2-enyl 3,5-dinitrobenzoate?
The molecular weight of (E)-But-2-enyl 3,5-dinitrobenzoate is 266.0539 g/mol.
Where can I buy (E)-But-2-enyl 3,5-dinitrobenzoate?
You can request a quote for (E)-But-2-enyl 3,5-dinitrobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (E)-But-2-enyl 3,5-dinitrobenzoate?
Yes, CoreyChem provides custom synthesis services for (E)-But-2-enyl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.