6-Methyl-1,3,8-trichlorodibenzofuran
TL;DR: 6-Methyl-1,3,8-trichlorodibenzofuran (CAS 115039-00-4) is a chemical compound with molecular formula C13H7Cl3O and molecular weight 283.95624 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3,8-trichloro-6-methyldibenzofuran
Also Known As: AhR modulator-1, MCDF, 6-Methyl-1,3,8-trichlorodibenzofuran, 6-MCDF, Aglycone F11
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H7Cl3O |
| Molecular Weight | 283.95624 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 283.95624 Da |
| Heavy Atoms | 17 |
| Complexity | 298.0 |
| SMILES | CC1=CC(=CC2=C1OC3=C2C(=CC(=C3)Cl)Cl)Cl |
| InChIKey | RPMARRQIRRJWEZ-UHFFFAOYSA-N |
Chemical Property Profile of 6-Methyl-1,3,8-trichlorodibenzofuran
Property Insights of 6-Methyl-1,3,8-trichlorodibenzofuran
The XLogP value of 6.1 indicates that 6-Methyl-1,3,8-trichlorodibenzofuran 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-1,3,8-trichlorodibenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-1,3,8-trichlorodibenzofuran has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 6-Methyl-1,3,8-trichlorodibenzofuran?
The CAS number of 6-Methyl-1,3,8-trichlorodibenzofuran is 115039-00-4.
What is the molecular formula of 6-Methyl-1,3,8-trichlorodibenzofuran?
The molecular formula of 6-Methyl-1,3,8-trichlorodibenzofuran is C13H7Cl3O.
What is the molecular weight of 6-Methyl-1,3,8-trichlorodibenzofuran?
The molecular weight of 6-Methyl-1,3,8-trichlorodibenzofuran is 283.95624 g/mol.
Where can I buy 6-Methyl-1,3,8-trichlorodibenzofuran?
You can request a quote for 6-Methyl-1,3,8-trichlorodibenzofuran directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Methyl-1,3,8-trichlorodibenzofuran?
Yes, CoreyChem provides custom synthesis services for 6-Methyl-1,3,8-trichlorodibenzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.