1,4-Dihydro-3-hydroxy-1,4-dioxo-2-naphthonitrile
TL;DR: 1,4-Dihydro-3-hydroxy-1,4-dioxo-2-naphthonitrile (CAS 109584-71-6) is a chemical compound with molecular formula C11H5NO3 and molecular weight 199.02695 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-hydroxy-3,4-dioxonaphthalene-2-carbonitrile
Also Known As: 1,4-Dihydro-3-hydroxy-1,4-dioxo-2-naphthonitrile, 2-Cyan-3-hydroxy-naphthochinon-(1,4), 2-cyano-3-hydroxy-1,4-naphthalenedione, 1-hydroxy-3,4-dioxonaphthalene-2-carbonitrile, 1-hydroxy-3,4-dioxo-3,4-dihydronaphthalene-2-carbonitrile
Technical Specifications
| Molecular Formula | C11H5NO3 |
| Molecular Weight | 199.02695 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 78.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.02695 Da |
| Heavy Atoms | 15 |
| Complexity | 413.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)C2=O)C#N)O |
| InChIKey | QDCZHDZFARQPHJ-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Dihydro-3-hydroxy-1,4-dioxo-2-naphthonitrile
Property Insights of 1,4-Dihydro-3-hydroxy-1,4-dioxo-2-naphthonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dihydro-3-hydroxy-1,4-dioxo-2-naphthonitrile. The TPSA of 78.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dihydro-3-hydroxy-1,4-dioxo-2-naphthonitrile. Following Lipinski's Rule of Five, 1,4-Dihydro-3-hydroxy-1,4-dioxo-2-naphthonitrile 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 1,4-Dihydro-3-hydroxy-1,4-dioxo-2-naphthonitrile?
The CAS number of 1,4-Dihydro-3-hydroxy-1,4-dioxo-2-naphthonitrile is 109584-71-6.
What is the molecular formula of 1,4-Dihydro-3-hydroxy-1,4-dioxo-2-naphthonitrile?
The molecular formula of 1,4-Dihydro-3-hydroxy-1,4-dioxo-2-naphthonitrile is C11H5NO3.
What is the molecular weight of 1,4-Dihydro-3-hydroxy-1,4-dioxo-2-naphthonitrile?
The molecular weight of 1,4-Dihydro-3-hydroxy-1,4-dioxo-2-naphthonitrile is 199.02695 g/mol.
Where can I buy 1,4-Dihydro-3-hydroxy-1,4-dioxo-2-naphthonitrile?
You can request a quote for 1,4-Dihydro-3-hydroxy-1,4-dioxo-2-naphthonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Dihydro-3-hydroxy-1,4-dioxo-2-naphthonitrile?
Yes, CoreyChem provides custom synthesis services for 1,4-Dihydro-3-hydroxy-1,4-dioxo-2-naphthonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.