2-amino-4H-3,1-benzoxazin-4-one
TL;DR: 2-amino-4H-3,1-benzoxazin-4-one (CAS 15607-11-1) is a chemical compound with molecular formula C8H6N2O2 and molecular weight 162.04292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-3,1-benzoxazin-4-one
Also Known As: 2-amino-4H-3,1-benzoxazin-4-one, 2-amino-4h-benzo[d][1,3]oxazin-4-one, 4H-3,1-Benzoxazin-4-one, 2-amino-, 2-AMINO-3,1-BENZOXAZIN-4-ONE, Amino-4H-3,1-benzoxazine-4-one
Technical Specifications
| Molecular Formula | C8H6N2O2 |
| Molecular Weight | 162.04292 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 64.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.04292 Da |
| Heavy Atoms | 12 |
| Complexity | 237.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)OC(=N2)N |
| InChIKey | YYPXNAAEYOJYES-UHFFFAOYSA-N |
Chemical Property Profile of 2-amino-4H-3,1-benzoxazin-4-one
Property Insights of 2-amino-4H-3,1-benzoxazin-4-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-amino-4H-3,1-benzoxazin-4-one. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-amino-4H-3,1-benzoxazin-4-one. Following Lipinski's Rule of Five, 2-amino-4H-3,1-benzoxazin-4-one 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 2-amino-4H-3,1-benzoxazin-4-one?
The CAS number of 2-amino-4H-3,1-benzoxazin-4-one is 15607-11-1.
What is the molecular formula of 2-amino-4H-3,1-benzoxazin-4-one?
The molecular formula of 2-amino-4H-3,1-benzoxazin-4-one is C8H6N2O2.
What is the molecular weight of 2-amino-4H-3,1-benzoxazin-4-one?
The molecular weight of 2-amino-4H-3,1-benzoxazin-4-one is 162.04292 g/mol.
Where can I buy 2-amino-4H-3,1-benzoxazin-4-one?
You can request a quote for 2-amino-4H-3,1-benzoxazin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-amino-4H-3,1-benzoxazin-4-one?
Yes, CoreyChem provides custom synthesis services for 2-amino-4H-3,1-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.