2,4-dimethyl-7-(2-methylene-1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 2,4-dimethyl-7-(2-methylene-1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one (CAS 116337-82-7) is a chemical compound with molecular formula C15H17NO3 and molecular weight 259.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-7-(2-methylidenebutanoyl)-1,4-benzoxazin-3-one
Also Known As: 2,4-Dimethyl-7-(2-methylene-1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one, 2,4-dimethyl-7-(2-methylidenebutanoyl)-1,4-benzoxazin-3-one, 2H-1,4-Benzoxazin-3(4H)-one, 2,4-dimethyl-7-(2-methylene-1-oxobutyl)-, 2H-1,4-Benzoxazin-3(4H)-one,2,4-dimethyl-7-(2-methylene-1-oxobutyl)-, 2,4-Dimethyl-7-(2-ethylacryloyl)-4H-1,4-benzoxazin-3(2H)-one
| Molecular Formula | C15H17NO3 |
|---|---|
| Molecular Weight | 259.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.12085 |
| Heavy Atoms | 19 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 116337-82-7 |
|---|---|
| SMILES | CCC(=C)C(=O)C1=CC2=C(C=C1)N(C(=O)C(O2)C)C |
| InChIKey | KSQWAFPOZRQKCX-UHFFFAOYSA-N |
Product Overview
2,4-dimethyl-7-(2-methylene-1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one (CAS 116337-82-7), with molecular formula C15H17NO3 and molecular weight 259.12 g/mol. IUPAC: 2,4-dimethyl-7-(2-methylidenebutanoyl)-1,4-benzoxazin-3-one.
Chemical Property Profile of 2,4-dimethyl-7-(2-methylene-1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 2,4-dimethyl-7-(2-methylene-1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-dimethyl-7-(2-methylene-1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one. With a topological polar surface area (TPSA) of 46.6 Ų, 2,4-dimethyl-7-(2-methylene-1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-dimethyl-7-(2-methylene-1-oxobutyl)-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
Frequently Asked Questions
What is the CAS number of 2,4-dimethyl-7-(2-methylene-1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 2,4-dimethyl-7-(2-methylene-1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one is 116337-82-7.
What is the molecular formula of 2,4-dimethyl-7-(2-methylene-1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 2,4-dimethyl-7-(2-methylene-1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one is C15H17NO3.
What is the molecular weight of 2,4-dimethyl-7-(2-methylene-1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 2,4-dimethyl-7-(2-methylene-1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one is 259.12 g/mol.
Where can I buy 2,4-dimethyl-7-(2-methylene-1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 2,4-dimethyl-7-(2-methylene-1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-dimethyl-7-(2-methylene-1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2,4-dimethyl-7-(2-methylene-1-oxobutyl)-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.