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Dibenzo[a,e]cycloocten-5(6H)-one
TL;DR: Dibenzo[a,e]cycloocten-5(6H)-one (CAS 3111-86-2) is a chemical compound with molecular formula C16H12O and molecular weight 220.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaen-2-one
Also Known As: Dibenzo[a,e]cycloocten-5(6H)-one, 5-oxo-dibenzo[a,e]cyclooctene, dibenzo[a,e][8]annulen-5(6h)-one
| Molecular Formula | C16H12O |
|---|---|
| Molecular Weight | 220.09 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.08882 |
| Heavy Atoms | 17 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 3111-86-2 |
|---|---|
| SMILES | C1C2=CC=CC=C2C=CC3=CC=CC=C3C1=O |
| InChIKey | ULOQNVBGMWFWHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibenzo[a,e]cycloocten-5(6H)-one (CAS 3111-86-2), with molecular formula C16H12O and molecular weight 220.09 g/mol. IUPAC: tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,10,12,14-heptaen-2-one.
Chemical Property Profile of Dibenzo[a,e]cycloocten-5(6H)-one
Property Insights of Dibenzo[a,e]cycloocten-5(6H)-one
The XLogP value of 3.8 indicates that Dibenzo[a,e]cycloocten-5(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, Dibenzo[a,e]cycloocten-5(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibenzo[a,e]cycloocten-5(6H)-one 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 Dibenzo[a,e]cycloocten-5(6H)-one?
The CAS number of Dibenzo[a,e]cycloocten-5(6H)-one is 3111-86-2.
What is the molecular formula of Dibenzo[a,e]cycloocten-5(6H)-one?
The molecular formula of Dibenzo[a,e]cycloocten-5(6H)-one is C16H12O.
What is the molecular weight of Dibenzo[a,e]cycloocten-5(6H)-one?
The molecular weight of Dibenzo[a,e]cycloocten-5(6H)-one is 220.09 g/mol.
Where can I buy Dibenzo[a,e]cycloocten-5(6H)-one?
You can request a quote for Dibenzo[a,e]cycloocten-5(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo[a,e]cycloocten-5(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo[a,e]cycloocten-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.