2-(6-Bromo-1,3-benzodioxol-5-yl)ethanol
TL;DR: 2-(6-Bromo-1,3-benzodioxol-5-yl)ethanol (CAS 119054-94-3) is a chemical compound with molecular formula C9H9BrO3 and molecular weight 243.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-bromo-1,3-benzodioxol-5-yl)ethanol
Also Known As: 6-Bromo-1,3-benzodioxole-5-ethanol, 2-(6-bromo-1,3-dioxaindan-5-yl)ethan-1-ol, 2-(6-bromo-1,3-benzodioxol-5-yl)ethanol, 2-(6-bromobenzo[1,3]dioxol-5-yl)ethanol, 2-(6-bromo-1,3-benzodioxol-5-yl)-ethanol
| Molecular Formula | C9H9BrO3 |
|---|---|
| Molecular Weight | 243.97 g/mol |
| LogP | 1.7126 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.97351 |
| Heavy Atoms | 13 |
| Complexity | 324.881 |
Chemical Identifiers
| CAS Number | 119054-94-3 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CCO)Br |
Product Overview
2-(6-Bromo-1,3-benzodioxol-5-yl)ethanol (CAS 119054-94-3), with molecular formula C9H9BrO3 and molecular weight 243.97 g/mol. IUPAC: 2-(6-bromo-1,3-benzodioxol-5-yl)ethanol.
Chemical Property Profile of 2-(6-Bromo-1,3-benzodioxol-5-yl)ethanol
Property Insights of 2-(6-Bromo-1,3-benzodioxol-5-yl)ethanol
The XLogP value of 1.7126 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(6-Bromo-1,3-benzodioxol-5-yl)ethanol. With a topological polar surface area (TPSA) of 38.69 Ų, 2-(6-Bromo-1,3-benzodioxol-5-yl)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6-Bromo-1,3-benzodioxol-5-yl)ethanol 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 2-(6-Bromo-1,3-benzodioxol-5-yl)ethanol?
The CAS number of 2-(6-Bromo-1,3-benzodioxol-5-yl)ethanol is 119054-94-3.
What is the molecular formula of 2-(6-Bromo-1,3-benzodioxol-5-yl)ethanol?
The molecular formula of 2-(6-Bromo-1,3-benzodioxol-5-yl)ethanol is C9H9BrO3.
What is the molecular weight of 2-(6-Bromo-1,3-benzodioxol-5-yl)ethanol?
The molecular weight of 2-(6-Bromo-1,3-benzodioxol-5-yl)ethanol is 243.97 g/mol.
Where can I buy 2-(6-Bromo-1,3-benzodioxol-5-yl)ethanol?
You can request a quote for 2-(6-Bromo-1,3-benzodioxol-5-yl)ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-Bromo-1,3-benzodioxol-5-yl)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Bromo-1,3-benzodioxol-5-yl)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.