4-Bromo-1,3-benzodioxole
TL;DR: 4-Bromo-1,3-benzodioxole (CAS 6698-13-1) is a chemical compound with molecular formula C7H5BrO2 and molecular weight 199.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1,3-benzodioxole
Also Known As: 4-bromo-1,3-benzodioxole, 4-bromo-2H-1,3-benzodioxole, 4-BROMOBENZO[D][1,3]DIOXOLE, 4-Bromo-benzo[1,3]dioxole, 4-Bromo-1,3-dioxaindane
| Molecular Formula | C7H5BrO2 |
|---|---|
| Molecular Weight | 199.95 g/mol |
| LogP | 2.1778 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.9473 |
| Heavy Atoms | 10 |
| Complexity | 259.78305 |
Chemical Identifiers
| CAS Number | 6698-13-1 |
|---|---|
| SMILES | C1OC2=C(O1)C(=CC=C2)Br |
Product Overview
4-Bromo-1,3-benzodioxole (CAS 6698-13-1), with molecular formula C7H5BrO2 and molecular weight 199.95 g/mol. IUPAC: 4-bromo-1,3-benzodioxole.
Chemical Property Profile of 4-Bromo-1,3-benzodioxole
Property Insights of 4-Bromo-1,3-benzodioxole
The XLogP value of 2.1778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-1,3-benzodioxole. With a topological polar surface area (TPSA) of 18.46 Ų, 4-Bromo-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-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
Frequently Asked Questions
What is the CAS number of 4-Bromo-1,3-benzodioxole?
The CAS number of 4-Bromo-1,3-benzodioxole is 6698-13-1.
What is the molecular formula of 4-Bromo-1,3-benzodioxole?
The molecular formula of 4-Bromo-1,3-benzodioxole is C7H5BrO2.
What is the molecular weight of 4-Bromo-1,3-benzodioxole?
The molecular weight of 4-Bromo-1,3-benzodioxole is 199.95 g/mol.
Where can I buy 4-Bromo-1,3-benzodioxole?
You can request a quote for 4-Bromo-1,3-benzodioxole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.