2,4-Dimethyl-7-(phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one
TL;DR: 2,4-Dimethyl-7-(phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one (CAS 135420-26-7) is a chemical compound with molecular formula C18H17NO3 and molecular weight 295.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dimethyl-7-(2-phenylacetyl)-1,4-benzoxazin-3-one
Also Known As: 2,4-Dimethyl-7-(phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one, 2H-1,4-Benzoxazin-3(4H)-one, 2,4-dimethyl-7-(phenylacetyl)-, 2,4-dimethyl-7-(2-phenylacetyl)-1,4-benzoxazin-3-one, 2,4-Dimethyl-7-phenylacetyl-4H-1,4-benzoxazin-3(2H)-one, 2,4-dimethyl-7-(2-phenylacetyl)-3,4-dihydro-2H-1,4-benzoxazin-3-one
Technical Specifications
| Molecular Formula | C18H17NO3 |
| Molecular Weight | 295.12085 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.12085 Da |
| Heavy Atoms | 22 |
| Complexity | 430.0 |
| SMILES | CC1C(=O)N(C2=C(O1)C=C(C=C2)C(=O)CC3=CC=CC=C3)C |
| InChIKey | OKCCBBRDGLKTMM-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-Dimethyl-7-(phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one
Property Insights of 2,4-Dimethyl-7-(phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethyl-7-(phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one. With a topological polar surface area (TPSA) of 46.6 Ų, 2,4-Dimethyl-7-(phenylacetyl)-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-(phenylacetyl)-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 2,4-Dimethyl-7-(phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one?
The CAS number of 2,4-Dimethyl-7-(phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one is 135420-26-7.
What is the molecular formula of 2,4-Dimethyl-7-(phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular formula of 2,4-Dimethyl-7-(phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one is C18H17NO3.
What is the molecular weight of 2,4-Dimethyl-7-(phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one?
The molecular weight of 2,4-Dimethyl-7-(phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one is 295.12085 g/mol.
Where can I buy 2,4-Dimethyl-7-(phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one?
You can request a quote for 2,4-Dimethyl-7-(phenylacetyl)-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 2,4-Dimethyl-7-(phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one?
Yes, CoreyChem provides custom synthesis services for 2,4-Dimethyl-7-(phenylacetyl)-2H-1,4-benzoxazin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.