![[3,3'-bi-7H-benz[de]anthracene]-7,7'-dione structure](/static/products/1169/116-96-1.webp)
[3,3'-bi-7H-benz[de]anthracene]-7,7'-dione
TL;DR: [3,3'-bi-7H-benz[de]anthracene]-7,7'-dione (CAS 116-96-1) is a chemical compound with molecular formula C34H18O2 and molecular weight 458.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(7-oxobenzo[a]phenalen-3-yl)benzo[b]phenalen-7-one
Also Known As: 13,13'-Dibenzanthronyl, 3,3'-Dibenzanthronyl, [3,3'-Bi-7H-benz[de]anthracene]-7,7'-dione, [3,7'-dione, 3,3'-BIBENZANTHRONYL
| Molecular Formula | C34H18O2 |
|---|---|
| Molecular Weight | 458.13 g/mol |
| LogP | 8.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 458.13068 |
| Heavy Atoms | 36 |
| Complexity | 820.0 |
Chemical Identifiers
| CAS Number | 116-96-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C(C=C3)C5=C6C=CC=C7C6=C(C=C5)C8=CC=CC=C8C7=O)C=CC=C4C2=O |
| InChIKey | ZSNLOGRWRVNZRH-UHFFFAOYSA-N |
Product Overview
[3,3'-bi-7H-benz[de]anthracene]-7,7'-dione (CAS 116-96-1), with molecular formula C34H18O2 and molecular weight 458.13 g/mol. IUPAC: 3-(7-oxobenzo[a]phenalen-3-yl)benzo[b]phenalen-7-one.
Chemical Property Profile of [3,3'-bi-7H-benz[de]anthracene]-7,7'-dione
Property Insights of [3,3'-bi-7H-benz[de]anthracene]-7,7'-dione
The XLogP value of 8.3 indicates that [3,3'-bi-7H-benz[de]anthracene]-7,7'-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.1 Ų, [3,3'-bi-7H-benz[de]anthracene]-7,7'-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [3,3'-bi-7H-benz[de]anthracene]-7,7'-dione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [3,3'-bi-7H-benz[de]anthracene]-7,7'-dione?
The CAS number of [3,3'-bi-7H-benz[de]anthracene]-7,7'-dione is 116-96-1.
What is the molecular formula of [3,3'-bi-7H-benz[de]anthracene]-7,7'-dione?
The molecular formula of [3,3'-bi-7H-benz[de]anthracene]-7,7'-dione is C34H18O2.
What is the molecular weight of [3,3'-bi-7H-benz[de]anthracene]-7,7'-dione?
The molecular weight of [3,3'-bi-7H-benz[de]anthracene]-7,7'-dione is 458.13 g/mol.
Where can I buy [3,3'-bi-7H-benz[de]anthracene]-7,7'-dione?
You can request a quote for [3,3'-bi-7H-benz[de]anthracene]-7,7'-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3,3'-bi-7H-benz[de]anthracene]-7,7'-dione?
Yes, KEHONG BIO provides custom synthesis services for [3,3'-bi-7H-benz[de]anthracene]-7,7'-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.