Ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate
TL;DR: Ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate (CAS 5959-01-3) is a chemical compound with molecular formula C17H13NO4 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-amino-9,10-dioxoanthracene-2-carboxylate
Also Known As: Ethyl 1-aminoanthraquinone-2-carboxylate, ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate, ethyl 1-amino-9,10-dioxoanthracene-2-carboxylate, Ethyl 1-amino-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylate, 1-AMINOANTHRAQUINONE-2-CARBOXYLIC ACID ETHYL ESTER [MI]
| Molecular Formula | C17H13NO4 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 86.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.08447 |
| Heavy Atoms | 22 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 5959-01-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N |
| InChIKey | BEJYYZULZYIARA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate (CAS 5959-01-3), with molecular formula C17H13NO4 and molecular weight 295.08 g/mol. IUPAC: ethyl 1-amino-9,10-dioxoanthracene-2-carboxylate.
Chemical Property Profile of Ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate
Property Insights of Ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate
The XLogP value of 3.0 indicates that Ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate has 1 hydrogen bond donor(s) and 5 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 Ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate?
The CAS number of Ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate is 5959-01-3.
What is the molecular formula of Ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate?
The molecular formula of Ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate is C17H13NO4.
What is the molecular weight of Ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate?
The molecular weight of Ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate is 295.08 g/mol.
Where can I buy Ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate?
You can request a quote for Ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-amino-9,10-dioxo-9,10-dihydroanthracene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.