2-(9,10-Dioxoanthracen-2-yl)acetonitrile
TL;DR: 2-(9,10-Dioxoanthracen-2-yl)acetonitrile (CAS 121831-04-7) 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.
2-(9,10-dioxoanthracen-2-yl)acetonitrile
Also Known As: 2-(9,10-dioxoanthracen-2-yl)acetonitrile, 2-(9,10-Dioxo-9,10-dihydroanthracen-2-yl)acetonitrile, dioxodihydroanthracenylacetonitrile, 2-(9,10-Dioxo-9,10-dihydro-2-anthracenyl)-acetonitrile, 1349AD
Technical Specifications
| Molecular Formula | C16H9NO2 |
| Molecular Weight | 247.06332 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 57.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.06332 Da |
| Heavy Atoms | 19 |
| Complexity | 447.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)CC#N |
| InChIKey | PDOFSHJOQBHGMM-UHFFFAOYSA-N |
Chemical Property Profile of 2-(9,10-Dioxoanthracen-2-yl)acetonitrile
Property Insights of 2-(9,10-Dioxoanthracen-2-yl)acetonitrile
The XLogP value of 3.2 indicates that 2-(9,10-Dioxoanthracen-2-yl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.9 Ų, 2-(9,10-Dioxoanthracen-2-yl)acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(9,10-Dioxoanthracen-2-yl)acetonitrile has 0 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 2-(9,10-Dioxoanthracen-2-yl)acetonitrile?
The CAS number of 2-(9,10-Dioxoanthracen-2-yl)acetonitrile is 121831-04-7.
What is the molecular formula of 2-(9,10-Dioxoanthracen-2-yl)acetonitrile?
The molecular formula of 2-(9,10-Dioxoanthracen-2-yl)acetonitrile is C16H9NO2.
What is the molecular weight of 2-(9,10-Dioxoanthracen-2-yl)acetonitrile?
The molecular weight of 2-(9,10-Dioxoanthracen-2-yl)acetonitrile is 247.06332 g/mol.
Where can I buy 2-(9,10-Dioxoanthracen-2-yl)acetonitrile?
You can request a quote for 2-(9,10-Dioxoanthracen-2-yl)acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(9,10-Dioxoanthracen-2-yl)acetonitrile?
Yes, CoreyChem provides custom synthesis services for 2-(9,10-Dioxoanthracen-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.