TL;DR: 6-Methyl-2,3,4,8-tetrachlorodibenzofuran (CAS 139883-51-5) is a chemical compound with molecular formula C13H6Cl4O and molecular weight 317.91727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,4,8-tetrachloro-6-methyldibenzofuran
Also Known As: 2,3,4,8-tetrachloro-6-methyldibenzofuran, 6-methyl-2,3,4,8-tetrachlorodibenzofuran, 4,5,6,12-tetrachloro-10-methyl-8-oxatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H6Cl4O |
| Molecular Weight | 317.91727 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 317.91727 Da |
| Heavy Atoms | 18 |
| Complexity | 326.0 |
| SMILES | CC1=CC(=CC2=C1OC3=C(C(=C(C=C23)Cl)Cl)Cl)Cl |
| InChIKey | OIWCQHWBWRPQBC-UHFFFAOYSA-N |
The XLogP value of 6.7 indicates that 6-Methyl-2,3,4,8-tetrachlorodibenzofuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.1 Ų, 6-Methyl-2,3,4,8-tetrachlorodibenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-2,3,4,8-tetrachlorodibenzofuran has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 6-Methyl-2,3,4,8-tetrachlorodibenzofuran is 139883-51-5.
The molecular formula of 6-Methyl-2,3,4,8-tetrachlorodibenzofuran is C13H6Cl4O.
The molecular weight of 6-Methyl-2,3,4,8-tetrachlorodibenzofuran is 317.91727 g/mol.
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