2-(4-Methylphenyl)-3-(4-((phenylmethylene)amino)benzoyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
TL;DR: 2-(4-Methylphenyl)-3-(4-((phenylmethylene)amino)benzoyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one (CAS 114439-79-1) is a chemical compound with molecular formula C29H22N2O3 and molecular weight 446.16306 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-(benzylideneamino)benzoyl]-2-(4-methylphenyl)-2H-1,3-benzoxazin-4-one
Also Known As: 2-(4-Methylphenyl)-3-(4-((phenylmethylene)amino)benzoyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one, 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-2-(4-methylphenyl)-3-(4-((phenylmethylene)amino)benzoyl)-, 3-[4-(benzylideneamino)benzoyl]-2-(4-methylphenyl)-2H-1,3-benzoxazin-4-one
Technical Specifications
| Molecular Formula | C29H22N2O3 |
| Molecular Weight | 446.16306 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 446.16306 Da |
| Heavy Atoms | 34 |
| Complexity | 730.0 |
| SMILES | CC1=CC=C(C=C1)C2N(C(=O)C3=CC=CC=C3O2)C(=O)C4=CC=C(C=C4)N=CC5=CC=CC=C5 |
| InChIKey | UWBYPEQKRNTKSS-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Methylphenyl)-3-(4-((phenylmethylene)amino)benzoyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
Property Insights of 2-(4-Methylphenyl)-3-(4-((phenylmethylene)amino)benzoyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one
The XLogP value of 5.9 indicates that 2-(4-Methylphenyl)-3-(4-((phenylmethylene)amino)benzoyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, 2-(4-Methylphenyl)-3-(4-((phenylmethylene)amino)benzoyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methylphenyl)-3-(4-((phenylmethylene)amino)benzoyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-(4-Methylphenyl)-3-(4-((phenylmethylene)amino)benzoyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one?
The CAS number of 2-(4-Methylphenyl)-3-(4-((phenylmethylene)amino)benzoyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one is 114439-79-1.
What is the molecular formula of 2-(4-Methylphenyl)-3-(4-((phenylmethylene)amino)benzoyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one?
The molecular formula of 2-(4-Methylphenyl)-3-(4-((phenylmethylene)amino)benzoyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one is C29H22N2O3.
What is the molecular weight of 2-(4-Methylphenyl)-3-(4-((phenylmethylene)amino)benzoyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one?
The molecular weight of 2-(4-Methylphenyl)-3-(4-((phenylmethylene)amino)benzoyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one is 446.16306 g/mol.
Where can I buy 2-(4-Methylphenyl)-3-(4-((phenylmethylene)amino)benzoyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one?
You can request a quote for 2-(4-Methylphenyl)-3-(4-((phenylmethylene)amino)benzoyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Methylphenyl)-3-(4-((phenylmethylene)amino)benzoyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one?
Yes, CoreyChem provides custom synthesis services for 2-(4-Methylphenyl)-3-(4-((phenylmethylene)amino)benzoyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.