3-(2-Hydroxyethylamino)methyl-1,8-dihydroxy-9,10-anthraquinone
TL;DR: 3-(2-Hydroxyethylamino)methyl-1,8-dihydroxy-9,10-anthraquinone (CAS 121210-80-8) is a chemical compound with molecular formula C17H15NO5 and molecular weight 313.09503 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,8-dihydroxy-3-[(2-hydroxyethylamino)methyl]anthracene-9,10-dione
Also Known As: 3-(2-Hydroxyethylamino)methyl-1,8-dihydroxy-9,10-anthraquinone, SK 31694, 1,8-dihydroxy-3-[(2-hydroxyethylamino)methyl]anthracene-9,10-dione, 1,8-Dihydroxy-3-(((2-hydroxyethyl)amino)methyl)anthracene-9,10-dione, 2-[[(2-Hydroxyethyl)amino]methyl]-4,5-dihydroxyanthraquinone
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H15NO5 |
| Molecular Weight | 313.09503 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.09503 Da |
| Heavy Atoms | 23 |
| Complexity | 468.0 |
| SMILES | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)CNCCO |
| InChIKey | IWDADNGAROBMPB-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2-Hydroxyethylamino)methyl-1,8-dihydroxy-9,10-anthraquinone
Property Insights of 3-(2-Hydroxyethylamino)methyl-1,8-dihydroxy-9,10-anthraquinone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Hydroxyethylamino)methyl-1,8-dihydroxy-9,10-anthraquinone. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Hydroxyethylamino)methyl-1,8-dihydroxy-9,10-anthraquinone. Following Lipinski's Rule of Five, 3-(2-Hydroxyethylamino)methyl-1,8-dihydroxy-9,10-anthraquinone has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2-Hydroxyethylamino)methyl-1,8-dihydroxy-9,10-anthraquinone?
The CAS number of 3-(2-Hydroxyethylamino)methyl-1,8-dihydroxy-9,10-anthraquinone is 121210-80-8.
What is the molecular formula of 3-(2-Hydroxyethylamino)methyl-1,8-dihydroxy-9,10-anthraquinone?
The molecular formula of 3-(2-Hydroxyethylamino)methyl-1,8-dihydroxy-9,10-anthraquinone is C17H15NO5.
What is the molecular weight of 3-(2-Hydroxyethylamino)methyl-1,8-dihydroxy-9,10-anthraquinone?
The molecular weight of 3-(2-Hydroxyethylamino)methyl-1,8-dihydroxy-9,10-anthraquinone is 313.09503 g/mol.
Where can I buy 3-(2-Hydroxyethylamino)methyl-1,8-dihydroxy-9,10-anthraquinone?
You can request a quote for 3-(2-Hydroxyethylamino)methyl-1,8-dihydroxy-9,10-anthraquinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2-Hydroxyethylamino)methyl-1,8-dihydroxy-9,10-anthraquinone?
Yes, CoreyChem provides custom synthesis services for 3-(2-Hydroxyethylamino)methyl-1,8-dihydroxy-9,10-anthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.