5-(2,3-Dibromopropyl)-6-methoxy-1,3-benzodioxole
TL;DR: 5-(2,3-Dibromopropyl)-6-methoxy-1,3-benzodioxole (CAS 117885-70-8) is a chemical compound with molecular formula C11H12Br2O3 and molecular weight 349.9153 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2,3-dibromopropyl)-6-methoxy-1,3-benzodioxole
Also Known As: 5-(2,3-dibromopropyl)-6-methoxy-1,3-benzodioxole, 5-(2,3-dibromo-propyl)-6-methoxy-benzo[1,3]dioxole
Technical Specifications
| Molecular Formula | C11H12Br2O3 |
| Molecular Weight | 349.9153 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 349.9153 Da |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
| SMILES | COC1=CC2=C(C=C1CC(CBr)Br)OCO2 |
| InChIKey | CKVGYWZCDAKVHC-UHFFFAOYSA-N |
Chemical Property Profile of 5-(2,3-Dibromopropyl)-6-methoxy-1,3-benzodioxole
Property Insights of 5-(2,3-Dibromopropyl)-6-methoxy-1,3-benzodioxole
The XLogP value of 3.6 indicates that 5-(2,3-Dibromopropyl)-6-methoxy-1,3-benzodioxole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 5-(2,3-Dibromopropyl)-6-methoxy-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(2,3-Dibromopropyl)-6-methoxy-1,3-benzodioxole has 0 hydrogen bond donor(s) and 3 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-(2,3-Dibromopropyl)-6-methoxy-1,3-benzodioxole?
The CAS number of 5-(2,3-Dibromopropyl)-6-methoxy-1,3-benzodioxole is 117885-70-8.
What is the molecular formula of 5-(2,3-Dibromopropyl)-6-methoxy-1,3-benzodioxole?
The molecular formula of 5-(2,3-Dibromopropyl)-6-methoxy-1,3-benzodioxole is C11H12Br2O3.
What is the molecular weight of 5-(2,3-Dibromopropyl)-6-methoxy-1,3-benzodioxole?
The molecular weight of 5-(2,3-Dibromopropyl)-6-methoxy-1,3-benzodioxole is 349.9153 g/mol.
Where can I buy 5-(2,3-Dibromopropyl)-6-methoxy-1,3-benzodioxole?
You can request a quote for 5-(2,3-Dibromopropyl)-6-methoxy-1,3-benzodioxole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(2,3-Dibromopropyl)-6-methoxy-1,3-benzodioxole?
Yes, CoreyChem provides custom synthesis services for 5-(2,3-Dibromopropyl)-6-methoxy-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.