5-Bromo-6-methyl-1,3-benzodioxole
TL;DR: 5-Bromo-6-methyl-1,3-benzodioxole (CAS 5025-53-6) is a chemical compound with molecular formula C8H7BrO2 and molecular weight 213.96294 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-6-methyl-1,3-benzodioxole
Also Known As: 5-Bromo-6-methyl-1,3-benzodioxole, 5-bromo-6-methyl-1,3-dioxaindane, 5-bromo-6-methylbenzo[d][1,3]dioxole, 2-Brom-4,5-methylendioxytoluol, 5-BROMO-6-METHYL-2H-1,3-BENZODIOXOLE
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7BrO2 |
| Molecular Weight | 213.96294 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.96294 Da |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
| SMILES | CC1=CC2=C(C=C1Br)OCO2 |
| InChIKey | COXSGYIDZGDCAR-UHFFFAOYSA-N |
Chemical Property Profile of 5-Bromo-6-methyl-1,3-benzodioxole
Property Insights of 5-Bromo-6-methyl-1,3-benzodioxole
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-6-methyl-1,3-benzodioxole. With a topological polar surface area (TPSA) of 18.5 Ų, 5-Bromo-6-methyl-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-6-methyl-1,3-benzodioxole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Bromo-6-methyl-1,3-benzodioxole?
The CAS number of 5-Bromo-6-methyl-1,3-benzodioxole is 5025-53-6.
What is the molecular formula of 5-Bromo-6-methyl-1,3-benzodioxole?
The molecular formula of 5-Bromo-6-methyl-1,3-benzodioxole is C8H7BrO2.
What is the molecular weight of 5-Bromo-6-methyl-1,3-benzodioxole?
The molecular weight of 5-Bromo-6-methyl-1,3-benzodioxole is 213.96294 g/mol.
Where can I buy 5-Bromo-6-methyl-1,3-benzodioxole?
You can request a quote for 5-Bromo-6-methyl-1,3-benzodioxole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Bromo-6-methyl-1,3-benzodioxole?
Yes, CoreyChem provides custom synthesis services for 5-Bromo-6-methyl-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.