9,10-Anthracenedione, 1-amino-2-(4,4-dimethyl-3-oxo-1-pentynyl)-
TL;DR: 9,10-Anthracenedione, 1-amino-2-(4,4-dimethyl-3-oxo-1-pentynyl)- (CAS 129995-14-8) is a chemical compound with molecular formula C21H17NO3 and molecular weight 331.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-amino-2-(4,4-dimethyl-3-oxopent-1-ynyl)anthracene-9,10-dione
Also Known As: 1-amino-2-benzoylethynylanthraquinone, 9,10-Anthracenedione, 1-amino-2-(4,4-dimethyl-3-oxo-1-pentynyl)-, J1.451.775H, 1-amino-2-(4,4-dimethyl-3-oxopent-1-yn-1-yl)anthracene-9,10-dione, 1-amino-2-(4,4-dimethyl-3-oxopent-1-ynyl)anthracene-9,10-dione
Technical Specifications
| Molecular Formula | C21H17NO3 |
| Molecular Weight | 331.12085 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 77.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.12085 Da |
| Heavy Atoms | 25 |
| Complexity | 660.0 |
| SMILES | CC(C)(C)C(=O)C#CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N |
| InChIKey | ZXQAYVWEYFIIMK-UHFFFAOYSA-N |
Chemical Property Profile of 9,10-Anthracenedione, 1-amino-2-(4,4-dimethyl-3-oxo-1-pentynyl)-
Property Insights of 9,10-Anthracenedione, 1-amino-2-(4,4-dimethyl-3-oxo-1-pentynyl)-
The XLogP value of 4.4 indicates that 9,10-Anthracenedione, 1-amino-2-(4,4-dimethyl-3-oxo-1-pentynyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Anthracenedione, 1-amino-2-(4,4-dimethyl-3-oxo-1-pentynyl)-. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1-amino-2-(4,4-dimethyl-3-oxo-1-pentynyl)- has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 9,10-Anthracenedione, 1-amino-2-(4,4-dimethyl-3-oxo-1-pentynyl)-?
The CAS number of 9,10-Anthracenedione, 1-amino-2-(4,4-dimethyl-3-oxo-1-pentynyl)- is 129995-14-8.
What is the molecular formula of 9,10-Anthracenedione, 1-amino-2-(4,4-dimethyl-3-oxo-1-pentynyl)-?
The molecular formula of 9,10-Anthracenedione, 1-amino-2-(4,4-dimethyl-3-oxo-1-pentynyl)- is C21H17NO3.
What is the molecular weight of 9,10-Anthracenedione, 1-amino-2-(4,4-dimethyl-3-oxo-1-pentynyl)-?
The molecular weight of 9,10-Anthracenedione, 1-amino-2-(4,4-dimethyl-3-oxo-1-pentynyl)- is 331.12085 g/mol.
Where can I buy 9,10-Anthracenedione, 1-amino-2-(4,4-dimethyl-3-oxo-1-pentynyl)-?
You can request a quote for 9,10-Anthracenedione, 1-amino-2-(4,4-dimethyl-3-oxo-1-pentynyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9,10-Anthracenedione, 1-amino-2-(4,4-dimethyl-3-oxo-1-pentynyl)-?
Yes, CoreyChem provides custom synthesis services for 9,10-Anthracenedione, 1-amino-2-(4,4-dimethyl-3-oxo-1-pentynyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.