TL;DR: (4R)-4-(1,1-Dimethylethyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole (CAS 148461-16-9) is a chemical compound with molecular formula C25H26NOP and molecular weight 387.1752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
Also Known As: (R)-tBu-Phox, (R)-4-(tert-butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole, (R)-4-(tert-Butyl)-2-[2-(diphenylphosphino)phenyl]-4,5-dihydrooxazole, (R)-4-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-2-oxazoline, (4S)-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-4,5-dihydrooxazole
| Molecular Formula | C25H26NOP |
| Molecular Weight | 387.1752 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.1752 Da |
| Heavy Atoms | 28 |
| Complexity | 509.0 |
| SMILES | CC(C)(C)[C@@H]1COC(=N1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | DMOLTNKQLUAXPI-QHCPKHFHSA-N |
The XLogP value of 5.9 indicates that (4R)-4-(1,1-Dimethylethyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.6 Ų, (4R)-4-(1,1-Dimethylethyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4R)-4-(1,1-Dimethylethyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (4R)-4-(1,1-Dimethylethyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole is 148461-16-9.
The molecular formula of (4R)-4-(1,1-Dimethylethyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole is C25H26NOP.
The molecular weight of (4R)-4-(1,1-Dimethylethyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole is 387.1752 g/mol.
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