1-(6-Bromo-1,3-benzodioxol-5-yl)ethanol
TL;DR: 1-(6-Bromo-1,3-benzodioxol-5-yl)ethanol (CAS 71095-27-7) 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.
1-(6-bromo-1,3-benzodioxol-5-yl)ethanol
Also Known As: 1-(6-bromo-1,3-benzodioxol-5-yl)ethanol, 6-Bromo-, A-methyl-1,3-benzodioxole-5-methanol, 1-(6-Bromo-2H-1,3-benzodioxol-5-yl)ethan-1-ol, 1-(6-Bromobenzo[d][1,3]dioxol-5-yl)ethan-1-ol
| Molecular Formula | C9H9BrO3 |
|---|---|
| Molecular Weight | 243.97 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 243.97351 |
| Heavy Atoms | 13 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 71095-27-7 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1Br)OCO2)O |
| InChIKey | JBLGTXYCRBVUSC-UHFFFAOYSA-N |
Product Overview
1-(6-Bromo-1,3-benzodioxol-5-yl)ethanol (CAS 71095-27-7), with molecular formula C9H9BrO3 and molecular weight 243.97 g/mol. IUPAC: 1-(6-bromo-1,3-benzodioxol-5-yl)ethanol.
Chemical Property Profile of 1-(6-Bromo-1,3-benzodioxol-5-yl)ethanol
Property Insights of 1-(6-Bromo-1,3-benzodioxol-5-yl)ethanol
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(6-Bromo-1,3-benzodioxol-5-yl)ethanol. With a topological polar surface area (TPSA) of 38.7 Ų, 1-(6-Bromo-1,3-benzodioxol-5-yl)ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(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 1-(6-Bromo-1,3-benzodioxol-5-yl)ethanol?
The CAS number of 1-(6-Bromo-1,3-benzodioxol-5-yl)ethanol is 71095-27-7.
What is the molecular formula of 1-(6-Bromo-1,3-benzodioxol-5-yl)ethanol?
The molecular formula of 1-(6-Bromo-1,3-benzodioxol-5-yl)ethanol is C9H9BrO3.
What is the molecular weight of 1-(6-Bromo-1,3-benzodioxol-5-yl)ethanol?
The molecular weight of 1-(6-Bromo-1,3-benzodioxol-5-yl)ethanol is 243.97 g/mol.
Where can I buy 1-(6-Bromo-1,3-benzodioxol-5-yl)ethanol?
You can request a quote for 1-(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 1-(6-Bromo-1,3-benzodioxol-5-yl)ethanol?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Bromo-1,3-benzodioxol-5-yl)ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.