7H-Dibenz(de,j)anthracen-7-one
TL;DR: 7H-Dibenz(de,j)anthracen-7-one (CAS 80440-44-4) 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[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one
Also Known As: Benzo[hi]chrysen-13-one, 7H-DIBENZ(DE,J)ANTHRACEN-7-ONE, 7H-Benzo[hi]chrysen-7-one, 7H-Benzo[hi]chrysene-7-one, 7H-Benzo[ij]tetraphen-7-one
| Molecular Formula | C21H12O |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 280.0888 |
| Heavy Atoms | 22 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 80440-44-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C(=O)C4=CC=CC5=C4C3=CC=C5 |
| InChIKey | TZWFTLUWVSVWJE-UHFFFAOYSA-N |
Product Overview
7H-Dibenz(de,j)anthracen-7-one (CAS 80440-44-4), with molecular formula C21H12O and molecular weight 280.09 g/mol. IUPAC: pentacyclo[11.7.1.02,11.05,10.017,21]henicosa-1(20),2(11),3,5,7,9,13,15,17(21),18-decaen-12-one.
Chemical Property Profile of 7H-Dibenz(de,j)anthracen-7-one
Property Insights of 7H-Dibenz(de,j)anthracen-7-one
The XLogP value of 5.6 indicates that 7H-Dibenz(de,j)anthracen-7-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, 7H-Dibenz(de,j)anthracen-7-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7H-Dibenz(de,j)anthracen-7-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 7H-Dibenz(de,j)anthracen-7-one?
The CAS number of 7H-Dibenz(de,j)anthracen-7-one is 80440-44-4.
What is the molecular formula of 7H-Dibenz(de,j)anthracen-7-one?
The molecular formula of 7H-Dibenz(de,j)anthracen-7-one is C21H12O.
What is the molecular weight of 7H-Dibenz(de,j)anthracen-7-one?
The molecular weight of 7H-Dibenz(de,j)anthracen-7-one is 280.09 g/mol.
Where can I buy 7H-Dibenz(de,j)anthracen-7-one?
You can request a quote for 7H-Dibenz(de,j)anthracen-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-Dibenz(de,j)anthracen-7-one?
Yes, KEHONG BIO provides custom synthesis services for 7H-Dibenz(de,j)anthracen-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.