RefChem:563921
TL;DR: RefChem:563921 (CAS 28517-81-9) is a chemical compound with molecular formula C25H23NO7S and molecular weight 481.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxy-5-(2-methylbutan-2-yl)benzenesulfonic acid
Also Known As: Benzenesulfonic acid, ((1-amino-4-hydroxy-2-anthraquinonyl)oxy)-tert-pentyl-, Benzenesulfonic acid, ((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)(1,1-dimethylpropyl)-, Benzenesulfonic acid, 2(or 5)-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy)-5(or 2)-(1,1-dimethylpropyl)-, 2-[(1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)oxy]-5-(2-methylbutan-2-yl)benzenesulfonic acid, Benzenesulfonic acid, [(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy](1,1-dimethylpropyl)-
| Molecular Formula | C25H23NO7S |
|---|---|
| Molecular Weight | 481.12 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.11954 |
| Heavy Atoms | 34 |
| Complexity | 897.0 |
Chemical Identifiers
| CAS Number | 28517-81-9 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O |
| InChIKey | ZRKJMQWEHVSONA-UHFFFAOYSA-N |
Product Overview
RefChem:563921 (CAS 28517-81-9), with molecular formula C25H23NO7S and molecular weight 481.12 g/mol. IUPAC: 2-(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl)oxy-5-(2-methylbutan-2-yl)benzenesulfonic acid.
Chemical Property Profile of RefChem:563921
Property Insights of RefChem:563921
The XLogP value of 5.4 indicates that RefChem:563921 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 152.0 Ų indicates high polarity, suggesting RefChem:563921 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:563921 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:563921?
The CAS number of RefChem:563921 is 28517-81-9.
What is the molecular formula of RefChem:563921?
The molecular formula of RefChem:563921 is C25H23NO7S.
What is the molecular weight of RefChem:563921?
The molecular weight of RefChem:563921 is 481.12 g/mol.
Where can I buy RefChem:563921?
You can request a quote for RefChem:563921 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:563921?
Yes, KEHONG BIO provides custom synthesis services for RefChem:563921 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.