1-Amino-2-acetylenylanthraquinone
TL;DR: 1-Amino-2-acetylenylanthraquinone (CAS 112878-74-7) is a chemical compound with molecular formula C16H9NO2 and molecular weight 247.06332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-amino-2-ethynylanthracene-9,10-dione
Also Known As: 1-amino-2-acetylenylanthraquinone, 1-Amino-2-ethynyl-9,10-anthraquinone, 1-amino-2-ethynylanthracene-9,10-dione, 1-amino-2-ethynyl-anthracene-9,10-dione, J1.451.782K
Technical Specifications
| Molecular Formula | C16H9NO2 |
| Molecular Weight | 247.06332 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 60.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.06332 Da |
| Heavy Atoms | 19 |
| Complexity | 461.0 |
| SMILES | C#CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N |
| InChIKey | BWYCMGALMAVVIV-UHFFFAOYSA-N |
Chemical Property Profile of 1-Amino-2-acetylenylanthraquinone
Property Insights of 1-Amino-2-acetylenylanthraquinone
The XLogP value of 3.0 indicates that 1-Amino-2-acetylenylanthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amino-2-acetylenylanthraquinone. Following Lipinski's Rule of Five, 1-Amino-2-acetylenylanthraquinone has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Amino-2-acetylenylanthraquinone?
The CAS number of 1-Amino-2-acetylenylanthraquinone is 112878-74-7.
What is the molecular formula of 1-Amino-2-acetylenylanthraquinone?
The molecular formula of 1-Amino-2-acetylenylanthraquinone is C16H9NO2.
What is the molecular weight of 1-Amino-2-acetylenylanthraquinone?
The molecular weight of 1-Amino-2-acetylenylanthraquinone is 247.06332 g/mol.
Where can I buy 1-Amino-2-acetylenylanthraquinone?
You can request a quote for 1-Amino-2-acetylenylanthraquinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Amino-2-acetylenylanthraquinone?
Yes, CoreyChem provides custom synthesis services for 1-Amino-2-acetylenylanthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.