1-((7-Oxo-7H-benz(de)anthracen-3-yl)amino)-9,10-anthracenedione
TL;DR: 1-((7-Oxo-7H-benz(de)anthracen-3-yl)amino)-9,10-anthracenedione (CAS 81-94-7) is a chemical compound with molecular formula C31H17NO3 and molecular weight 451.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(7-oxobenzo[a]phenalen-3-yl)amino]anthracene-9,10-dione
Also Known As: NCIStruc1_001137, NCIStruc2_001244, 1-[(7-oxobenzo[a]phenalen-3-yl)amino]anthracene-9,10-dione, 9,10-Anthracenedione, 1-[(7-oxo-7H-benz[de]anthracen-3-yl)amino]-, Anthraquinone, 1-(benzathronyl-3'-amino)-
| Molecular Formula | C31H17NO3 |
|---|---|
| Molecular Weight | 451.12 g/mol |
| LogP | 6.8 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 451.12085 |
| Heavy Atoms | 35 |
| Complexity | 882.0 |
Chemical Identifiers
| CAS Number | 81-94-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C4C(=C(C=C3)NC5=CC=CC6=C5C(=O)C7=CC=CC=C7C6=O)C=CC=C4C2=O |
| InChIKey | IYIHHRQMVJYLAX-UHFFFAOYSA-N |
Product Overview
1-((7-Oxo-7H-benz(de)anthracen-3-yl)amino)-9,10-anthracenedione (CAS 81-94-7), with molecular formula C31H17NO3 and molecular weight 451.12 g/mol. IUPAC: 1-[(7-oxobenzo[a]phenalen-3-yl)amino]anthracene-9,10-dione.
Chemical Property Profile of 1-((7-Oxo-7H-benz(de)anthracen-3-yl)amino)-9,10-anthracenedione
Property Insights of 1-((7-Oxo-7H-benz(de)anthracen-3-yl)amino)-9,10-anthracenedione
The XLogP value of 6.8 indicates that 1-((7-Oxo-7H-benz(de)anthracen-3-yl)amino)-9,10-anthracenedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((7-Oxo-7H-benz(de)anthracen-3-yl)amino)-9,10-anthracenedione. Following Lipinski's Rule of Five, 1-((7-Oxo-7H-benz(de)anthracen-3-yl)amino)-9,10-anthracenedione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-((7-Oxo-7H-benz(de)anthracen-3-yl)amino)-9,10-anthracenedione?
The CAS number of 1-((7-Oxo-7H-benz(de)anthracen-3-yl)amino)-9,10-anthracenedione is 81-94-7.
What is the molecular formula of 1-((7-Oxo-7H-benz(de)anthracen-3-yl)amino)-9,10-anthracenedione?
The molecular formula of 1-((7-Oxo-7H-benz(de)anthracen-3-yl)amino)-9,10-anthracenedione is C31H17NO3.
What is the molecular weight of 1-((7-Oxo-7H-benz(de)anthracen-3-yl)amino)-9,10-anthracenedione?
The molecular weight of 1-((7-Oxo-7H-benz(de)anthracen-3-yl)amino)-9,10-anthracenedione is 451.12 g/mol.
Where can I buy 1-((7-Oxo-7H-benz(de)anthracen-3-yl)amino)-9,10-anthracenedione?
You can request a quote for 1-((7-Oxo-7H-benz(de)anthracen-3-yl)amino)-9,10-anthracenedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-((7-Oxo-7H-benz(de)anthracen-3-yl)amino)-9,10-anthracenedione?
Yes, KEHONG BIO provides custom synthesis services for 1-((7-Oxo-7H-benz(de)anthracen-3-yl)amino)-9,10-anthracenedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.