5-Bromo-6-hydroxy-1,3-benzodioxole
TL;DR: 5-Bromo-6-hydroxy-1,3-benzodioxole (CAS 82461-08-3) is a chemical compound with molecular formula C7H5BrO3 and molecular weight 215.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-1,3-benzodioxol-5-ol
Also Known As: 6-bromo-1,3-benzodioxol-5-ol, 6-Bromobenzo[d][1,3]dioxol-5-ol, 5-Bromo-6-hydroxy-1,3-benzodioxole, 1,3-Benzodioxol-5-ol,6-bromo-, 6-bromo-1,3-dioxaindan-5-ol
| Molecular Formula | C7H5BrO3 |
|---|---|
| Molecular Weight | 215.94 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 215.94221 |
| Heavy Atoms | 11 |
| Complexity | 153.0 |
Chemical Identifiers
| CAS Number | 82461-08-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)O)Br |
| InChIKey | TUYBCLHMZFLWRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Bromo-6-hydroxy-1,3-benzodioxole (CAS 82461-08-3), with molecular formula C7H5BrO3 and molecular weight 215.94 g/mol. IUPAC: 6-bromo-1,3-benzodioxol-5-ol.
Chemical Property Profile of 5-Bromo-6-hydroxy-1,3-benzodioxole
Property Insights of 5-Bromo-6-hydroxy-1,3-benzodioxole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Bromo-6-hydroxy-1,3-benzodioxole. With a topological polar surface area (TPSA) of 38.7 Ų, 5-Bromo-6-hydroxy-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Bromo-6-hydroxy-1,3-benzodioxole has 1 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 5-Bromo-6-hydroxy-1,3-benzodioxole?
The CAS number of 5-Bromo-6-hydroxy-1,3-benzodioxole is 82461-08-3.
What is the molecular formula of 5-Bromo-6-hydroxy-1,3-benzodioxole?
The molecular formula of 5-Bromo-6-hydroxy-1,3-benzodioxole is C7H5BrO3.
What is the molecular weight of 5-Bromo-6-hydroxy-1,3-benzodioxole?
The molecular weight of 5-Bromo-6-hydroxy-1,3-benzodioxole is 215.94 g/mol.
Where can I buy 5-Bromo-6-hydroxy-1,3-benzodioxole?
You can request a quote for 5-Bromo-6-hydroxy-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 5-Bromo-6-hydroxy-1,3-benzodioxole?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-6-hydroxy-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.