(3Z,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)-piperidin-4-one
TL;DR: (3Z,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)-piperidin-4-one (CAS 330450-45-8) is a chemical compound with molecular formula C22H17N3O6 and molecular weight 419.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis[(4-nitrophenyl)methylidene]-1-prop-2-enoylpiperidin-4-one
Also Known As: b-AP15, b-AP15(NSC687852), (3Z,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)-piperidin-4-one, NCI60_031716, (3E,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)piperidin-4-one
| Molecular Formula | C22H17N3O6 |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 419.11172 |
| Heavy Atoms | 31 |
| Complexity | 750.0 |
Chemical Identifiers
| CAS Number | 330450-45-8 |
|---|---|
| SMILES | C=CC(=O)N1CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(=CC3=CC=C(C=C3)[N+](=O)[O-])C1 |
| InChIKey | GFARQYQBWJLZMW-UHFFFAOYSA-N |
Product Overview
(3Z,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)-piperidin-4-one (CAS 330450-45-8), with molecular formula C22H17N3O6 and molecular weight 419.11 g/mol. IUPAC: 3,5-bis[(4-nitrophenyl)methylidene]-1-prop-2-enoylpiperidin-4-one.
Chemical Property Profile of (3Z,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)-piperidin-4-one
Property Insights of (3Z,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)-piperidin-4-one
The XLogP value of 3.3 indicates that (3Z,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)-piperidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3Z,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)-piperidin-4-one. Following Lipinski's Rule of Five, (3Z,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)-piperidin-4-one 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 (3Z,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)-piperidin-4-one?
The CAS number of (3Z,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)-piperidin-4-one is 330450-45-8.
What is the molecular formula of (3Z,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)-piperidin-4-one?
The molecular formula of (3Z,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)-piperidin-4-one is C22H17N3O6.
What is the molecular weight of (3Z,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)-piperidin-4-one?
The molecular weight of (3Z,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)-piperidin-4-one is 419.11 g/mol.
Where can I buy (3Z,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)-piperidin-4-one?
You can request a quote for (3Z,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)-piperidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3Z,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)-piperidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (3Z,5E)-1-Acryloyl-3,5-bis(4-nitrobenzylidene)-piperidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.