TL;DR: 2,6-DI-Tert-butyl-4-methylphenyldiazo acetate (CAS 125640-92-8) is a chemical compound with molecular formula C17H24N2O2 and molecular weight 288.18378 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,6-ditert-butyl-4-methylphenyl) 2-diazoacetate
Also Known As: 2,6-DI-TERT-BUTYL-4-METHYLPHENYLDIAZO ACETATE, (2,6-ditert-butyl-4-methylphenyl) 2-diazoacetate, 2,6-Di-tert.-butyl-4-methylphenyldiazo acetate, 2,6-di-t-butyl-4-methyl-phenyl diazoacetate, J1.301.577E
| Molecular Formula | C17H24N2O2 |
| Molecular Weight | 288.18378 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 28.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.18378 Da |
| Heavy Atoms | 21 |
| Complexity | 401.0 |
| SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)OC(=O)C=[N+]=[N-])C(C)(C)C |
| InChIKey | JWOHWTRHFIOQSH-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that 2,6-DI-Tert-butyl-4-methylphenyldiazo acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.3 Ų, 2,6-DI-Tert-butyl-4-methylphenyldiazo acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-DI-Tert-butyl-4-methylphenyldiazo acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,6-DI-Tert-butyl-4-methylphenyldiazo acetate is 125640-92-8.
The molecular formula of 2,6-DI-Tert-butyl-4-methylphenyldiazo acetate is C17H24N2O2.
The molecular weight of 2,6-DI-Tert-butyl-4-methylphenyldiazo acetate is 288.18378 g/mol.
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