monoacetylparacyclophane
TL;DR: monoacetylparacyclophane (CAS 10029-00-2) is a chemical compound with molecular formula C18H18O and molecular weight 250.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C18H18O |
|---|---|
| Molecular Weight | 250.14 g/mol |
| LogP | 3.773 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 250.13577 |
| Heavy Atoms | 19 |
| Complexity | 608.08746 |
Chemical Identifiers
| CAS Number | 10029-00-2 |
|---|---|
| SMILES | CC(=O)C1=C2CCC3=CC=C(CCC(=C1)C=C2)C=C3 |
Product Overview
monoacetylparacyclophane (CAS 10029-00-2), with molecular formula C18H18O and molecular weight 250.14 g/mol. IUPAC: 1-(5-tricyclo[8.2.2.24,7]hexadeca-1(13),4,6,10(14),11,15-hexaenyl)ethanone.
Chemical Property Profile of monoacetylparacyclophane
Property Insights of monoacetylparacyclophane
The XLogP value of 3.773 indicates that monoacetylparacyclophane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 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
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 250.14 g/mol.
Where can I buy monoacetylparacyclophane?
You can request a quote for monoacetylparacyclophane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for monoacetylparacyclophane?
Yes, KEHONG BIO provides custom synthesis services for monoacetylparacyclophane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.