4-Hexyl-2-methyl-7-(2-methylidenebutanoyl)-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 4-Hexyl-2-methyl-7-(2-methylidenebutanoyl)-2H-1,4-benzoxazin-3(4H)-one (CAS 135420-37-0) is a chemical compound with molecular formula C20H27NO3 and molecular weight 329.1991 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hexyl-2-methyl-7-(2-methylidenebutanoyl)-1,4-benzoxazin-3-one
Also Known As: 4-Hexyl-2-methyl-7-(2-methylene-1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one, 2H-1,4-Benzoxazin-3(4H)-one, 4-hexyl-2-methyl-7-(2-methylene-1-oxobutyl)-, 4-hexyl-2-methyl-7-(2-methylidenebutanoyl)-1,4-benzoxazin-3-one, 2H-1,4-Benzoxazin-3(4H)-one,4-hexyl-2-methyl-7-(2-methylene-1-oxobutyl)-, 4-Hexyl-2-methyl-7-(2-methylidenebutanoyl)-2H-1,4-benzoxazin-3(4H)-one
Technical Specifications
| Molecular Formula | C20H27NO3 |
| Molecular Weight | 329.1991 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 329.1991 Da |
| Heavy Atoms | 24 |
| Complexity | 474.0 |
| SMILES | CCCCCCN1C2=C(C=C(C=C2)C(=O)C(=C)CC)OC(C1=O)C |
| InChIKey | FORIHNKYIUHMHR-UHFFFAOYSA-N |
Chemical Property Profile of 4-Hexyl-2-methyl-7-(2-methylidenebutanoyl)-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 4-Hexyl-2-methyl-7-(2-methylidenebutanoyl)-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 4.9 indicates that 4-Hexyl-2-methyl-7-(2-methylidenebutanoyl)-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, 4-Hexyl-2-methyl-7-(2-methylidenebutanoyl)-2H-1,4-benzoxazin-3(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexyl-2-methyl-7-(2-methylidenebutanoyl)-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 4-Hexyl-2-methyl-7-(2-methylidenebutanoyl)-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 4-Hexyl-2-methyl-7-(2-methylidenebutanoyl)-2H-1,4-benzoxazin-3(4H)-one is 135420-37-0.
What is the molecular formula of 4-Hexyl-2-methyl-7-(2-methylidenebutanoyl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 4-Hexyl-2-methyl-7-(2-methylidenebutanoyl)-2H-1,4-benzoxazin-3(4H)-one is C20H27NO3.
What is the molecular weight of 4-Hexyl-2-methyl-7-(2-methylidenebutanoyl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 4-Hexyl-2-methyl-7-(2-methylidenebutanoyl)-2H-1,4-benzoxazin-3(4H)-one is 329.1991 g/mol.
Where can I buy 4-Hexyl-2-methyl-7-(2-methylidenebutanoyl)-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 4-Hexyl-2-methyl-7-(2-methylidenebutanoyl)-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 4-Hexyl-2-methyl-7-(2-methylidenebutanoyl)-2H-1,4-benzoxazin-3(4H)-one?
Yes, CoreyChem provides custom synthesis services for 4-Hexyl-2-methyl-7-(2-methylidenebutanoyl)-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.