1,3-Benzodioxole-5-ethanol, 6-iodo-
TL;DR: 1,3-Benzodioxole-5-ethanol, 6-iodo- (CAS 52199-45-8) is a chemical compound with molecular formula C9H9IO3 and molecular weight 291.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-iodo-1,3-benzodioxol-5-yl)ethanol
Also Known As: 1,3-Benzodioxole-5-ethanol, 6-iodo-, 5-Iodo-1,3-benzodioxole-6-ethanol, 6-Iodo-1,3-benzodioxole-5-ethanol, 2-(6-iodo-1,3-benzodioxol-5-yl)ethanol, 2-(6-iodobenzo[1,3]dioxol-5-yl)ethanol
| Molecular Formula | C9H9IO3 |
|---|---|
| Molecular Weight | 291.96 g/mol |
| LogP | 1.5547 |
| Topological Polar Surface Area | 38.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 291.95963 |
| Heavy Atoms | 13 |
| Complexity | 324.881 |
Chemical Identifiers
| CAS Number | 52199-45-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)CCO)I |
Product Overview
1,3-Benzodioxole-5-ethanol, 6-iodo- (CAS 52199-45-8), with molecular formula C9H9IO3 and molecular weight 291.96 g/mol. IUPAC: 2-(6-iodo-1,3-benzodioxol-5-yl)ethanol.
Chemical Property Profile of 1,3-Benzodioxole-5-ethanol, 6-iodo-
Property Insights of 1,3-Benzodioxole-5-ethanol, 6-iodo-
The XLogP value of 1.5547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole-5-ethanol, 6-iodo-. With a topological polar surface area (TPSA) of 38.69 Ų, 1,3-Benzodioxole-5-ethanol, 6-iodo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole-5-ethanol, 6-iodo- 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 1,3-Benzodioxole-5-ethanol, 6-iodo-?
The CAS number of 1,3-Benzodioxole-5-ethanol, 6-iodo- is 52199-45-8.
What is the molecular formula of 1,3-Benzodioxole-5-ethanol, 6-iodo-?
The molecular formula of 1,3-Benzodioxole-5-ethanol, 6-iodo- is C9H9IO3.
What is the molecular weight of 1,3-Benzodioxole-5-ethanol, 6-iodo-?
The molecular weight of 1,3-Benzodioxole-5-ethanol, 6-iodo- is 291.96 g/mol.
Where can I buy 1,3-Benzodioxole-5-ethanol, 6-iodo-?
You can request a quote for 1,3-Benzodioxole-5-ethanol, 6-iodo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzodioxole-5-ethanol, 6-iodo-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzodioxole-5-ethanol, 6-iodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.