2-Ethyl-1-nitroanthraquinone
TL;DR: 2-Ethyl-1-nitroanthraquinone (CAS 56600-58-9) is a chemical compound with molecular formula C16H11NO4 and molecular weight 281.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-1-nitroanthracene-9,10-dione
Also Known As: 2-Ethyl-1-nitroanthraquinone, 1-Nitro-2-ethylanthraquinone, 1-Nitro-2-ethyl-anthraquinone, Cyclopropyl isothiocyanate, 2-Ethyl-1-nitro-9,10-anthracenedione
| Molecular Formula | C16H11NO4 |
|---|---|
| Molecular Weight | 281.07 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.06882 |
| Heavy Atoms | 21 |
| Complexity | 469.0 |
Chemical Identifiers
| CAS Number | 56600-58-9 |
|---|---|
| SMILES | CCC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-] |
| InChIKey | GROCBQWLHMMTLP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethyl-1-nitroanthraquinone (CAS 56600-58-9), with molecular formula C16H11NO4 and molecular weight 281.07 g/mol. IUPAC: 2-ethyl-1-nitroanthracene-9,10-dione.
Chemical Property Profile of 2-Ethyl-1-nitroanthraquinone
Property Insights of 2-Ethyl-1-nitroanthraquinone
The XLogP value of 3.5 indicates that 2-Ethyl-1-nitroanthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl-1-nitroanthraquinone. Following Lipinski's Rule of Five, 2-Ethyl-1-nitroanthraquinone has 0 hydrogen bond donor(s) and 4 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 2-Ethyl-1-nitroanthraquinone?
The CAS number of 2-Ethyl-1-nitroanthraquinone is 56600-58-9.
What is the molecular formula of 2-Ethyl-1-nitroanthraquinone?
The molecular formula of 2-Ethyl-1-nitroanthraquinone is C16H11NO4.
What is the molecular weight of 2-Ethyl-1-nitroanthraquinone?
The molecular weight of 2-Ethyl-1-nitroanthraquinone is 281.07 g/mol.
Where can I buy 2-Ethyl-1-nitroanthraquinone?
You can request a quote for 2-Ethyl-1-nitroanthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-1-nitroanthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-1-nitroanthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.