2-Amino-1,4-naphthoquinone imine
TL;DR: 2-Amino-1,4-naphthoquinone imine (CAS 20513-06-8) is a chemical compound with molecular formula C10H8N2O and molecular weight 172.06366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-iminonaphthalen-1-one
Also Known As: ANQI, 2-Amino-1,4-naphthoquinone imine, 2-amino-4-iminonaphthalen-1-one, 1(4H)-Naphthalenone der., 2-Amino-4-imino-1(4H)-naphthalenone
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H8N2O |
| Molecular Weight | 172.06366 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 66.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.06366 Da |
| Heavy Atoms | 13 |
| Complexity | 293.0 |
| SMILES | C1=CC=C2C(=C1)C(=N)C=C(C2=O)N |
| InChIKey | QDPCYPPJLOKHQK-UHFFFAOYSA-N |
Chemical Property Profile of 2-Amino-1,4-naphthoquinone imine
Property Insights of 2-Amino-1,4-naphthoquinone imine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Amino-1,4-naphthoquinone imine. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-1,4-naphthoquinone imine. Following Lipinski's Rule of Five, 2-Amino-1,4-naphthoquinone imine has 2 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-Amino-1,4-naphthoquinone imine?
The CAS number of 2-Amino-1,4-naphthoquinone imine is 20513-06-8.
What is the molecular formula of 2-Amino-1,4-naphthoquinone imine?
The molecular formula of 2-Amino-1,4-naphthoquinone imine is C10H8N2O.
What is the molecular weight of 2-Amino-1,4-naphthoquinone imine?
The molecular weight of 2-Amino-1,4-naphthoquinone imine is 172.06366 g/mol.
Where can I buy 2-Amino-1,4-naphthoquinone imine?
You can request a quote for 2-Amino-1,4-naphthoquinone imine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Amino-1,4-naphthoquinone imine?
Yes, CoreyChem provides custom synthesis services for 2-Amino-1,4-naphthoquinone imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.