2-Propenone, 1-(3-azabicyclo(3.2.2)non-3-yl)-3-phenyl
TL;DR: 2-Propenone, 1-(3-azabicyclo(3.2.2)non-3-yl)-3-phenyl (CAS 116850-44-3) is a chemical compound with molecular formula C17H21NO and molecular weight 255.16231 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(3-azabicyclo[3.2.2]nonan-3-yl)-3-phenylprop-2-en-1-one
Also Known As: p-Tolyl, A-D-thioglucopyranoside, 3-Cinnamoyl-3-azabicyclo(3.2.2)nonane, KST-1A9995, 3-Azabicyclo(3.2.2)nonane, 3-cinnamoyl-
Technical Specifications
| Molecular Formula | C17H21NO |
| Molecular Weight | 255.16231 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.16231 Da |
| Heavy Atoms | 19 |
| Complexity | 321.0 |
| SMILES | C1CC2CCC1CN(C2)C(=O)/C=C/C3=CC=CC=C3 |
| InChIKey | XLSCFYZYWNYHKG-ZHACJKMWSA-N |
Chemical Property Profile of 2-Propenone, 1-(3-azabicyclo(3.2.2)non-3-yl)-3-phenyl
Property Insights of 2-Propenone, 1-(3-azabicyclo(3.2.2)non-3-yl)-3-phenyl
The XLogP value of 3.3 indicates that 2-Propenone, 1-(3-azabicyclo(3.2.2)non-3-yl)-3-phenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 2-Propenone, 1-(3-azabicyclo(3.2.2)non-3-yl)-3-phenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenone, 1-(3-azabicyclo(3.2.2)non-3-yl)-3-phenyl has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Propenone, 1-(3-azabicyclo(3.2.2)non-3-yl)-3-phenyl?
The CAS number of 2-Propenone, 1-(3-azabicyclo(3.2.2)non-3-yl)-3-phenyl is 116850-44-3.
What is the molecular formula of 2-Propenone, 1-(3-azabicyclo(3.2.2)non-3-yl)-3-phenyl?
The molecular formula of 2-Propenone, 1-(3-azabicyclo(3.2.2)non-3-yl)-3-phenyl is C17H21NO.
What is the molecular weight of 2-Propenone, 1-(3-azabicyclo(3.2.2)non-3-yl)-3-phenyl?
The molecular weight of 2-Propenone, 1-(3-azabicyclo(3.2.2)non-3-yl)-3-phenyl is 255.16231 g/mol.
Where can I buy 2-Propenone, 1-(3-azabicyclo(3.2.2)non-3-yl)-3-phenyl?
You can request a quote for 2-Propenone, 1-(3-azabicyclo(3.2.2)non-3-yl)-3-phenyl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propenone, 1-(3-azabicyclo(3.2.2)non-3-yl)-3-phenyl?
Yes, CoreyChem provides custom synthesis services for 2-Propenone, 1-(3-azabicyclo(3.2.2)non-3-yl)-3-phenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.