7-Hexanoyl-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 7-Hexanoyl-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one (CAS 135420-25-6) is a chemical compound with molecular formula C16H21NO3 and molecular weight 275.15213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-hexanoyl-2,4-dimethyl-1,4-benzoxazin-3-one
Also Known As: 2,4-Dimethyl-7-(1-oxohexyl)-2H-1,4-benzoxazin-3(4H)-one, 2H-1,4-Benzoxazin-3(4H)-one, 2,4-dimethyl-7-(1-oxohexyl)-, 7-hexanoyl-2,4-dimethyl-1,4-benzoxazin-3-one, 7-Hexanoyl-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one, 2,4-Dimethyl-7-hexanoyl-4H-1,4-benzoxazin-3(2H)-one
Technical Specifications
| Molecular Formula | C16H21NO3 |
| Molecular Weight | 275.15213 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.15213 Da |
| Heavy Atoms | 20 |
| Complexity | 369.0 |
| SMILES | CCCCCC(=O)C1=CC2=C(C=C1)N(C(=O)C(O2)C)C |
| InChIKey | UIZJKVJWRVLGTB-UHFFFAOYSA-N |
Chemical Property Profile of 7-Hexanoyl-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 7-Hexanoyl-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 3.1 indicates that 7-Hexanoyl-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, 7-Hexanoyl-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Hexanoyl-2,4-dimethyl-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 7-Hexanoyl-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 7-Hexanoyl-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one is 135420-25-6.
What is the molecular formula of 7-Hexanoyl-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 7-Hexanoyl-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one is C16H21NO3.
What is the molecular weight of 7-Hexanoyl-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 7-Hexanoyl-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one is 275.15213 g/mol.
Where can I buy 7-Hexanoyl-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 7-Hexanoyl-2,4-dimethyl-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 7-Hexanoyl-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one?
Yes, CoreyChem provides custom synthesis services for 7-Hexanoyl-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.