TL;DR: 2,3-Dichloro-5,6-dimethyl-1,4-benzoquinone (CAS 15707-31-0) is a chemical compound with molecular formula C8H6Cl2O2 and molecular weight 203.97449 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3-dichloro-5,6-dimethylcyclohexa-2,5-diene-1,4-dione
Also Known As: dimethyldichloroquinone, 2,3-dichloro-5,6-dimethyl-1,4-benzoquinone, 2,3-dichloro-5,6-dimethylcyclohexa-2,5-diene-1,4-dione, 2,3-Dichlor-5,6-dimethyl-1,4-benzochinon, 2,5-Cyclohexadiene-1,4-dione, 2,3-dichloro-5,6-dimethyl-
| Molecular Formula | C8H6Cl2O2 |
| Molecular Weight | 203.97449 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.97449 Da |
| Heavy Atoms | 12 |
| Complexity | 305.0 |
| SMILES | CC1=C(C(=O)C(=C(C1=O)Cl)Cl)C |
| InChIKey | AYRNOTNKIMVGIC-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dichloro-5,6-dimethyl-1,4-benzoquinone. With a topological polar surface area (TPSA) of 34.1 Ų, 2,3-Dichloro-5,6-dimethyl-1,4-benzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dichloro-5,6-dimethyl-1,4-benzoquinone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,3-Dichloro-5,6-dimethyl-1,4-benzoquinone is 15707-31-0.
The molecular formula of 2,3-Dichloro-5,6-dimethyl-1,4-benzoquinone is C8H6Cl2O2.
The molecular weight of 2,3-Dichloro-5,6-dimethyl-1,4-benzoquinone is 203.97449 g/mol.
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