6-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
TL;DR: 6-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one (CAS 1396962-56-3) is a chemical compound with molecular formula C9H10N2O2 and molecular weight 178.07423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-amino-2-methyl-4H-1,4-benzoxazin-3-one
Also Known As: 6-amino-2-methyl-2H-1,4-benzoxazin-3(4H)-one, 6-amino-2-methyl-4H-1,4-benzoxazin-3-one, 6-Amino-2-methyl-4H-benzo[1,4]oxazin-3-one, 6-amino-2-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one, 8258AC
Technical Specifications
| Molecular Formula | C9H10N2O2 |
| Molecular Weight | 178.07423 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.07423 Da |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
| SMILES | CC1C(=O)NC2=C(O1)C=CC(=C2)N |
| InChIKey | SUYYYBBFOLGROC-UHFFFAOYSA-N |
Chemical Property Profile of 6-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
Property Insights of 6-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one. Following Lipinski's Rule of Five, 6-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one 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 6-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one?
The CAS number of 6-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one is 1396962-56-3.
What is the molecular formula of 6-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one?
The molecular formula of 6-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one is C9H10N2O2.
What is the molecular weight of 6-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one?
The molecular weight of 6-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one is 178.07423 g/mol.
Where can I buy 6-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one?
You can request a quote for 6-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one?
Yes, CoreyChem provides custom synthesis services for 6-amino-2-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.