Benzamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
TL;DR: Benzamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)- (CAS 81-44-7) is a chemical compound with molecular formula C21H12BrNO3 and molecular weight 405.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-bromo-9,10-dioxoanthracen-1-yl)benzamide
Also Known As: 1-Benzoylamino-4-bromoanthraquinone, 1-benzamido-4-bromoanthraquinone, 4-bromo-1-benzoylaminoanthraquinone, Benzamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-, N-(4-bromo-9,10-dioxoanthracen-1-yl)benzamide
| Molecular Formula | C21H12BrNO3 |
|---|---|
| Molecular Weight | 405.00 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 405.00006 |
| Heavy Atoms | 26 |
| Complexity | 586.0 |
Chemical Identifiers
| CAS Number | 81-44-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)Br)C(=O)C4=CC=CC=C4C3=O |
| InChIKey | JKRCBOYQTINLRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)- (CAS 81-44-7), with molecular formula C21H12BrNO3 and molecular weight 405.00 g/mol. IUPAC: N-(4-bromo-9,10-dioxoanthracen-1-yl)benzamide.
Chemical Property Profile of Benzamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
Property Insights of Benzamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-
The XLogP value of 4.9 indicates that Benzamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)- 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 Benzamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-. Following Lipinski's Rule of Five, Benzamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)- has 1 hydrogen bond donor(s) and 3 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 Benzamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-?
The CAS number of Benzamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)- is 81-44-7.
What is the molecular formula of Benzamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-?
The molecular formula of Benzamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)- is C21H12BrNO3.
What is the molecular weight of Benzamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-?
The molecular weight of Benzamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)- is 405.00 g/mol.
Where can I buy Benzamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-?
You can request a quote for Benzamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzamide, N-(4-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.