5,6-Dibromo-2,2-dimethyl-1,3-benzodioxole
TL;DR: 5,6-Dibromo-2,2-dimethyl-1,3-benzodioxole (CAS 114414-23-2) is a chemical compound with molecular formula C9H8Br2O2 and molecular weight 305.8891 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5,6-dibromo-2,2-dimethyl-1,3-benzodioxole
Also Known As: 5,6-Dibromo-2,2-dimethyl-1,3-benzodioxole, 1,3-Benzodioxole, 5,6-dibromo-2,2-dimethyl-, 5,6-dibromo-2,2-dimethyl-benzo[1,3]dioxole, 5,6-dibromo-2,2-dimethyl-2H-1,3-benzodioxole, 5,6-Dibromo-2,2-dimethylbenzo[d][1,3]dioxole
Technical Specifications
| Molecular Formula | C9H8Br2O2 |
| Molecular Weight | 305.8891 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 305.8891 Da |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
| SMILES | CC1(OC2=CC(=C(C=C2O1)Br)Br)C |
| InChIKey | OIZDJNUXYCYWEY-UHFFFAOYSA-N |
Chemical Property Profile of 5,6-Dibromo-2,2-dimethyl-1,3-benzodioxole
Property Insights of 5,6-Dibromo-2,2-dimethyl-1,3-benzodioxole
The XLogP value of 3.7 indicates that 5,6-Dibromo-2,2-dimethyl-1,3-benzodioxole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 5,6-Dibromo-2,2-dimethyl-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6-Dibromo-2,2-dimethyl-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 5,6-Dibromo-2,2-dimethyl-1,3-benzodioxole?
The CAS number of 5,6-Dibromo-2,2-dimethyl-1,3-benzodioxole is 114414-23-2.
What is the molecular formula of 5,6-Dibromo-2,2-dimethyl-1,3-benzodioxole?
The molecular formula of 5,6-Dibromo-2,2-dimethyl-1,3-benzodioxole is C9H8Br2O2.
What is the molecular weight of 5,6-Dibromo-2,2-dimethyl-1,3-benzodioxole?
The molecular weight of 5,6-Dibromo-2,2-dimethyl-1,3-benzodioxole is 305.8891 g/mol.
Where can I buy 5,6-Dibromo-2,2-dimethyl-1,3-benzodioxole?
You can request a quote for 5,6-Dibromo-2,2-dimethyl-1,3-benzodioxole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5,6-Dibromo-2,2-dimethyl-1,3-benzodioxole?
Yes, CoreyChem provides custom synthesis services for 5,6-Dibromo-2,2-dimethyl-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.