1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-ethoxybenzenesulphonate
TL;DR: 1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-ethoxybenzenesulphonate (CAS 16517-80-9) is a chemical compound with molecular formula C22H17NO7S and molecular weight 439.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl) 4-ethoxybenzenesulfonate
Also Known As: (1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl) 4-ethoxybenzenesulfonate, 1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-ethoxybenzenesulphonate, 1-AMINO-4-HYDROXY-9,10-DIOXO-9,10-DIHYDROANTHRACEN-2-YL 4-ETHOXYBENZENE-1-SULFONATE, 1-amino-4-hydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl 4-ethoxybenzenesulfonate, 4-Ethoxybenzenesulfonic acid (1-amino-9,10-dihydro-4-hydroxy-9,10-dioxoanthracen)-2-yl ester
| Molecular Formula | C22H17NO7S |
|---|---|
| Molecular Weight | 439.07 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.07257 |
| Heavy Atoms | 31 |
| Complexity | 786.0 |
Chemical Identifiers
| CAS Number | 16517-80-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=C(C(=C2)O)C(=O)C4=CC=CC=C4C3=O)N |
| InChIKey | JNVVHAUTUNBSEZ-UHFFFAOYSA-N |
Product Overview
1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-ethoxybenzenesulphonate (CAS 16517-80-9), with molecular formula C22H17NO7S and molecular weight 439.07 g/mol. IUPAC: (1-amino-4-hydroxy-9,10-dioxoanthracen-2-yl) 4-ethoxybenzenesulfonate.
Chemical Property Profile of 1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-ethoxybenzenesulphonate
Property Insights of 1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-ethoxybenzenesulphonate
The XLogP value of 4.4 indicates that 1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-ethoxybenzenesulphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting 1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-ethoxybenzenesulphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-ethoxybenzenesulphonate has 2 hydrogen bond donor(s) and 8 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 1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-ethoxybenzenesulphonate?
The CAS number of 1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-ethoxybenzenesulphonate is 16517-80-9.
What is the molecular formula of 1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-ethoxybenzenesulphonate?
The molecular formula of 1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-ethoxybenzenesulphonate is C22H17NO7S.
What is the molecular weight of 1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-ethoxybenzenesulphonate?
The molecular weight of 1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-ethoxybenzenesulphonate is 439.07 g/mol.
Where can I buy 1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-ethoxybenzenesulphonate?
You can request a quote for 1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-ethoxybenzenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-ethoxybenzenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl 4-ethoxybenzenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.