TL;DR: 3-Benzyl-2-phenyl-2,3-dihydro-4H-1,3,2lambda~5~-benzoxazaphosphinine-2,4-dione (CAS 143000-20-8) is a chemical compound with molecular formula C20H16NO3P and molecular weight 349.0868 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzyl-2-oxo-2-phenyl-1,3,2λ5-benzoxazaphosphinin-4-one
Also Known As: 3-benzyl-2-oxo-2-phenyl-1,3,2, 2-Phenyl-3-(phenylmethyl)-4H-1,3,2-benzoxazaphosphorin-4-one 2-oxide, 4H-1,3,2-Benzoxazaphosphorin-4-one, 2,3-dihydro-2-phenyl-3-(phenylmethyl)-, 2-oxide, 3-benzyl-2-oxo-2-phenyl-1,3,2lambda5-benzoxazaphosphinin-4-one, 3-Benzyl-2-phenyl-2,3-dihydro-4H-1,3,2lambda~5~-benzoxazaphosphinine-2,4-dione
| Molecular Formula | C20H16NO3P |
| Molecular Weight | 349.0868 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.0868 Da |
| Heavy Atoms | 25 |
| Complexity | 525.0 |
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3OP2(=O)C4=CC=CC=C4 |
| InChIKey | QMBPIVKSVZYZME-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 3-Benzyl-2-phenyl-2,3-dihydro-4H-1,3,2lambda~5~-benzoxazaphosphinine-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.6 Ų, 3-Benzyl-2-phenyl-2,3-dihydro-4H-1,3,2lambda~5~-benzoxazaphosphinine-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-2-phenyl-2,3-dihydro-4H-1,3,2lambda~5~-benzoxazaphosphinine-2,4-dione has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-Benzyl-2-phenyl-2,3-dihydro-4H-1,3,2lambda~5~-benzoxazaphosphinine-2,4-dione is 143000-20-8.
The molecular formula of 3-Benzyl-2-phenyl-2,3-dihydro-4H-1,3,2lambda~5~-benzoxazaphosphinine-2,4-dione is C20H16NO3P.
The molecular weight of 3-Benzyl-2-phenyl-2,3-dihydro-4H-1,3,2lambda~5~-benzoxazaphosphinine-2,4-dione is 349.0868 g/mol.
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