4,4-diphenyl-2-(trichloromethyl)-1,4-dihydro-2H-3,1-benzoxazine
TL;DR: 4,4-diphenyl-2-(trichloromethyl)-1,4-dihydro-2H-3,1-benzoxazine (CAS 128097-58-5) is a chemical compound with molecular formula C21H16Cl3NO and molecular weight 403.02975 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4-diphenyl-2-(trichloromethyl)-1,2-dihydro-3,1-benzoxazine
Also Known As: BAS 00232380, AE-848/33586048, 4,4-diphenyl-2-(trichloromethyl)-1,4-dihydro-2H-3,1-benzoxazine, 4,4-diphenyl-2-(trichloromethyl)-1,2-dihydro-3,1-benzoxazine, 4,4-diphenyl-2-(trichloromethyl)-2,4-dihydro-1H-benzo[d][1,3]oxazine
Technical Specifications
| Molecular Formula | C21H16Cl3NO |
| Molecular Weight | 403.02975 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 403.02975 Da |
| Heavy Atoms | 26 |
| Complexity | 450.0 |
| SMILES | C1=CC=C(C=C1)C2(C3=CC=CC=C3NC(O2)C(Cl)(Cl)Cl)C4=CC=CC=C4 |
| InChIKey | QPZSAVAYKSCRPA-UHFFFAOYSA-N |
Chemical Property Profile of 4,4-diphenyl-2-(trichloromethyl)-1,4-dihydro-2H-3,1-benzoxazine
Property Insights of 4,4-diphenyl-2-(trichloromethyl)-1,4-dihydro-2H-3,1-benzoxazine
The XLogP value of 6.5 indicates that 4,4-diphenyl-2-(trichloromethyl)-1,4-dihydro-2H-3,1-benzoxazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.3 Ų, 4,4-diphenyl-2-(trichloromethyl)-1,4-dihydro-2H-3,1-benzoxazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-diphenyl-2-(trichloromethyl)-1,4-dihydro-2H-3,1-benzoxazine has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4,4-diphenyl-2-(trichloromethyl)-1,4-dihydro-2H-3,1-benzoxazine?
The CAS number of 4,4-diphenyl-2-(trichloromethyl)-1,4-dihydro-2H-3,1-benzoxazine is 128097-58-5.
What is the molecular formula of 4,4-diphenyl-2-(trichloromethyl)-1,4-dihydro-2H-3,1-benzoxazine?
The molecular formula of 4,4-diphenyl-2-(trichloromethyl)-1,4-dihydro-2H-3,1-benzoxazine is C21H16Cl3NO.
What is the molecular weight of 4,4-diphenyl-2-(trichloromethyl)-1,4-dihydro-2H-3,1-benzoxazine?
The molecular weight of 4,4-diphenyl-2-(trichloromethyl)-1,4-dihydro-2H-3,1-benzoxazine is 403.02975 g/mol.
Where can I buy 4,4-diphenyl-2-(trichloromethyl)-1,4-dihydro-2H-3,1-benzoxazine?
You can request a quote for 4,4-diphenyl-2-(trichloromethyl)-1,4-dihydro-2H-3,1-benzoxazine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4-diphenyl-2-(trichloromethyl)-1,4-dihydro-2H-3,1-benzoxazine?
Yes, CoreyChem provides custom synthesis services for 4,4-diphenyl-2-(trichloromethyl)-1,4-dihydro-2H-3,1-benzoxazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.