monoacetylparacyclophane
TL;DR: monoacetylparacyclophane (CAS 10029-00-2) is a chemical compound with molecular formula C18H18O and molecular weight 250.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanone
Also Known As: monoacetylparacyclophane, 4-acetyl(2.2)paracyclophane, 4-Acetyl-[2.2]paracyclophan, J1.060.350A, 10.14272/BMIQCMMQLWBYIU-UHFFFAOYSA-N.1
Technical Specifications
| Molecular Formula | C18H18O |
| Molecular Weight | 250.13577 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.13577 Da |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
| SMILES | CC(=O)C1=C2CCC3=CC=C(CCC(=C1)C=C2)C=C3 |
| InChIKey | BMIQCMMQLWBYIU-UHFFFAOYSA-N |
Chemical Property Profile of monoacetylparacyclophane
Property Insights of monoacetylparacyclophane
The XLogP value of 4.1 indicates that monoacetylparacyclophane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, monoacetylparacyclophane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, monoacetylparacyclophane 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 monoacetylparacyclophane?
The CAS number of monoacetylparacyclophane is 10029-00-2.
What is the molecular formula of monoacetylparacyclophane?
The molecular formula of monoacetylparacyclophane is C18H18O.
What is the molecular weight of monoacetylparacyclophane?
The molecular weight of monoacetylparacyclophane is 250.13577 g/mol.
Where can I buy monoacetylparacyclophane?
You can request a quote for monoacetylparacyclophane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for monoacetylparacyclophane?
Yes, CoreyChem provides custom synthesis services for monoacetylparacyclophane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.