TL;DR: 2,3-Epoxy-2-methyl-1,4-naphthoquinone (CAS 15448-59-6) is a chemical compound with molecular formula C11H8O3 and molecular weight 188.04735 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1a-methyl-7aH-naphtho[2,3-b]oxirene-2,7-dione
Also Known As: Menadione epoxide, Menadione oxide, Menadione-2,3-epoxide, Menadione 2,3-Epoxide, Vitamin K3 2,3-oxide
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H8O3 |
| Molecular Weight | 188.04735 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 46.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.04735 Da |
| Heavy Atoms | 14 |
| Complexity | 322.0 |
| SMILES | CC12C(O1)C(=O)C3=CC=CC=C3C2=O |
| InChIKey | NNUKDUBCRRYXDC-UHFFFAOYSA-N |
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Epoxy-2-methyl-1,4-naphthoquinone. With a topological polar surface area (TPSA) of 46.7 Ų, 2,3-Epoxy-2-methyl-1,4-naphthoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Epoxy-2-methyl-1,4-naphthoquinone 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 2,3-Epoxy-2-methyl-1,4-naphthoquinone is 15448-59-6.
The molecular formula of 2,3-Epoxy-2-methyl-1,4-naphthoquinone is C11H8O3.
The molecular weight of 2,3-Epoxy-2-methyl-1,4-naphthoquinone is 188.04735 g/mol.
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