9H-Dibenz(b,de)anthracen-9-one
TL;DR: 9H-Dibenz(b,de)anthracen-9-one (CAS 86854-05-9) is a chemical compound with molecular formula C21H12O and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaen-2-one
Also Known As: 9H-Dibenz(b,de)anthracen-9-one, 8H-benzo[fg]naphthacen-8-one, 8H-Benzo[fg]naphthacene-8-one, 9H-Benzo[fg]naphthacene-9-one, J1.596.379D
| Molecular Formula | C21H12O |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 5.2044 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 280.0888 |
| Heavy Atoms | 22 |
| Complexity | 1089.4589 |
Chemical Identifiers
| CAS Number | 86854-05-9 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C(=O)C4=CC2=C1 |
Product Overview
9H-Dibenz(b,de)anthracen-9-one (CAS 86854-05-9), with molecular formula C21H12O and molecular weight 280.09 g/mol. IUPAC: pentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(20),3,5,7,9,11,13(21),14,16,18-decaen-2-one.
Chemical Property Profile of 9H-Dibenz(b,de)anthracen-9-one
Property Insights of 9H-Dibenz(b,de)anthracen-9-one
The XLogP value of 5.2044 indicates that 9H-Dibenz(b,de)anthracen-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 9H-Dibenz(b,de)anthracen-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-Dibenz(b,de)anthracen-9-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 9H-Dibenz(b,de)anthracen-9-one?
The CAS number of 9H-Dibenz(b,de)anthracen-9-one is 86854-05-9.
What is the molecular formula of 9H-Dibenz(b,de)anthracen-9-one?
The molecular formula of 9H-Dibenz(b,de)anthracen-9-one is C21H12O.
What is the molecular weight of 9H-Dibenz(b,de)anthracen-9-one?
The molecular weight of 9H-Dibenz(b,de)anthracen-9-one is 280.09 g/mol.
Where can I buy 9H-Dibenz(b,de)anthracen-9-one?
You can request a quote for 9H-Dibenz(b,de)anthracen-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-Dibenz(b,de)anthracen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 9H-Dibenz(b,de)anthracen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.