6-(chloroacetyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 6-(chloroacetyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one (CAS 114566-43-7) is a chemical compound with molecular formula C11H10ClNO3 and molecular weight 239.03493 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-(2-chloroacetyl)-4-methyl-1,4-benzoxazin-3-one
Also Known As: starbld0002080, 6-(chloroacetyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one, 6-(2-chloroacetyl)-4-methyl-1,4-benzoxazin-3-one, BAS 01042610, 6-(2-chloroacetyl)-4-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one
Technical Specifications
| Molecular Formula | C11H10ClNO3 |
| Molecular Weight | 239.03493 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.03493 Da |
| Heavy Atoms | 16 |
| Complexity | 308.0 |
| SMILES | CN1C(=O)COC2=C1C=C(C=C2)C(=O)CCl |
| InChIKey | ZWYXNGYJESSKDQ-UHFFFAOYSA-N |
Chemical Property Profile of 6-(chloroacetyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 6-(chloroacetyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(chloroacetyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one. With a topological polar surface area (TPSA) of 46.6 Ų, 6-(chloroacetyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(chloroacetyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one 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 6-(chloroacetyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 6-(chloroacetyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one is 114566-43-7.
What is the molecular formula of 6-(chloroacetyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 6-(chloroacetyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one is C11H10ClNO3.
What is the molecular weight of 6-(chloroacetyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 6-(chloroacetyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one is 239.03493 g/mol.
Where can I buy 6-(chloroacetyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 6-(chloroacetyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(chloroacetyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one?
Yes, CoreyChem provides custom synthesis services for 6-(chloroacetyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.