2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-4-methyl-
TL;DR: 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-4-methyl- (CAS 116337-71-4) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.0739 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-acetyl-4-methyl-1,4-benzoxazin-3-one
Also Known As: 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-4-methyl-, 7-Acetyl-4-methyl-2H-1,4-benzoxazin-3(4H)-one, 7-acetyl-4-methyl-1,4-benzoxazin-3-one, BRN 5947023
Technical Specifications
| Molecular Formula | C11H11NO3 |
| Molecular Weight | 205.0739 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.0739 Da |
| Heavy Atoms | 15 |
| Complexity | 290.0 |
| SMILES | CC(=O)C1=CC2=C(C=C1)N(C(=O)CO2)C |
| InChIKey | XTLDCEGIZIGZTI-UHFFFAOYSA-N |
Chemical Property Profile of 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-4-methyl-
Property Insights of 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-4-methyl-
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-4-methyl-. With a topological polar surface area (TPSA) of 46.6 Ų, 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-4-methyl- 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 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-4-methyl-?
The CAS number of 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-4-methyl- is 116337-71-4.
What is the molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-4-methyl-?
The molecular formula of 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-4-methyl- is C11H11NO3.
What is the molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-4-methyl-?
The molecular weight of 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-4-methyl- is 205.0739 g/mol.
Where can I buy 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-4-methyl-?
You can request a quote for 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-4-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-4-methyl-?
Yes, CoreyChem provides custom synthesis services for 2H-1,4-Benzoxazin-3(4H)-one, 7-acetyl-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.