4-Bromo-6-methoxy-1,3-benzodioxole
TL;DR: 4-Bromo-6-methoxy-1,3-benzodioxole (CAS 55950-26-0) is a chemical compound with molecular formula C8H7BrO3 and molecular weight 229.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-6-methoxy-1,3-benzodioxole
Also Known As: 4-bromo-6-methoxy-1,3-benzodioxole, 1,3-Benzodioxole, 4-bromo-6-methoxy-, 4-bromo-6-methoxybenzo[d][1,3]dioxole, 4-bromo-6-methoxy-benzo[1,3]dioxole, 4-Chloro-5-methoxybenzo[d][1,3]dioxole
| Molecular Formula | C8H7BrO3 |
|---|---|
| Molecular Weight | 229.96 g/mol |
| LogP | 2.1864 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.95786 |
| Heavy Atoms | 12 |
| Complexity | 311.41644 |
Chemical Identifiers
| CAS Number | 55950-26-0 |
|---|---|
| SMILES | COC1=CC2=C(C(=C1)Br)OCO2 |
Product Overview
4-Bromo-6-methoxy-1,3-benzodioxole (CAS 55950-26-0), with molecular formula C8H7BrO3 and molecular weight 229.96 g/mol. IUPAC: 4-bromo-6-methoxy-1,3-benzodioxole.
Chemical Property Profile of 4-Bromo-6-methoxy-1,3-benzodioxole
Property Insights of 4-Bromo-6-methoxy-1,3-benzodioxole
The XLogP value of 2.1864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-6-methoxy-1,3-benzodioxole. With a topological polar surface area (TPSA) of 27.69 Ų, 4-Bromo-6-methoxy-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-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
Frequently Asked Questions
What is the CAS number of 4-Bromo-6-methoxy-1,3-benzodioxole?
The CAS number of 4-Bromo-6-methoxy-1,3-benzodioxole is 55950-26-0.
What is the molecular formula of 4-Bromo-6-methoxy-1,3-benzodioxole?
The molecular formula of 4-Bromo-6-methoxy-1,3-benzodioxole is C8H7BrO3.
What is the molecular weight of 4-Bromo-6-methoxy-1,3-benzodioxole?
The molecular weight of 4-Bromo-6-methoxy-1,3-benzodioxole is 229.96 g/mol.
Where can I buy 4-Bromo-6-methoxy-1,3-benzodioxole?
You can request a quote for 4-Bromo-6-methoxy-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-6-methoxy-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-6-methoxy-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.