RefChem:563827
TL;DR: RefChem:563827 (CAS 26868-32-6) is a chemical compound with molecular formula C21H15BrN2O4S and molecular weight 469.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)-4-methylbenzenesulfonamide
Also Known As: N- -4-methylbenzenesulphonamide, 1-Amino-2-bromo-4-(4-toluenesulfonamido)anthraquinone, Benzenesulfonamide, N-(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-4-methyl-, Benzenesulfonamide,N-(4-amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthracenyl)-4-methyl-, N-(4-Amino-3-bromo-9,10-dihydro-9,10-dioxo-1-anthryl)-4-methylbenzenesulphonamide
| Molecular Formula | C21H15BrN2O4S |
|---|---|
| Molecular Weight | 469.99 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 469.9936 |
| Heavy Atoms | 29 |
| Complexity | 759.0 |
Chemical Identifiers
| CAS Number | 26868-32-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)Br |
| InChIKey | BDJMCMGZOMQUMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:563827 (CAS 26868-32-6), with molecular formula C21H15BrN2O4S and molecular weight 469.99 g/mol. IUPAC: N-(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)-4-methylbenzenesulfonamide.
Chemical Property Profile of RefChem:563827
Property Insights of RefChem:563827
The XLogP value of 4.9 indicates that RefChem:563827 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:563827. Following Lipinski's Rule of Five, RefChem:563827 has 2 hydrogen bond donor(s) and 6 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 RefChem:563827?
The CAS number of RefChem:563827 is 26868-32-6.
What is the molecular formula of RefChem:563827?
The molecular formula of RefChem:563827 is C21H15BrN2O4S.
What is the molecular weight of RefChem:563827?
The molecular weight of RefChem:563827 is 469.99 g/mol.
Where can I buy RefChem:563827?
You can request a quote for RefChem:563827 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:563827?
Yes, KEHONG BIO provides custom synthesis services for RefChem:563827 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.