alpha-Ethyl-1,3-benzodioxole-5-methanol
TL;DR: alpha-Ethyl-1,3-benzodioxole-5-methanol (CAS 948038-38-8) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)propan-1-ol
Also Known As: bruceine J, alpha-Ethylpiperonyl alcohol, 1-(1,3-benzodioxol-5-yl)propan-1-ol, 1-(benzo[d][1,3]dioxol-5-yl)propan-1-ol, Piperonyl alcohol, alpha-ethyl-
| Molecular Formula | C10H12O3 |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.07864 |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 948038-38-8 |
|---|---|
| SMILES | CCC(C1=CC2=C(C=C1)OCO2)O |
| InChIKey | PXFYAFDHWSXVLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Ethyl-1,3-benzodioxole-5-methanol (CAS 948038-38-8), with molecular formula C10H12O3 and molecular weight 180.08 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)propan-1-ol.
Chemical Property Profile of alpha-Ethyl-1,3-benzodioxole-5-methanol
Property Insights of alpha-Ethyl-1,3-benzodioxole-5-methanol
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Ethyl-1,3-benzodioxole-5-methanol. With a topological polar surface area (TPSA) of 38.7 Ų, alpha-Ethyl-1,3-benzodioxole-5-methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, alpha-Ethyl-1,3-benzodioxole-5-methanol 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 alpha-Ethyl-1,3-benzodioxole-5-methanol?
The CAS number of alpha-Ethyl-1,3-benzodioxole-5-methanol is 948038-38-8.
What is the molecular formula of alpha-Ethyl-1,3-benzodioxole-5-methanol?
The molecular formula of alpha-Ethyl-1,3-benzodioxole-5-methanol is C10H12O3.
What is the molecular weight of alpha-Ethyl-1,3-benzodioxole-5-methanol?
The molecular weight of alpha-Ethyl-1,3-benzodioxole-5-methanol is 180.08 g/mol.
Where can I buy alpha-Ethyl-1,3-benzodioxole-5-methanol?
You can request a quote for alpha-Ethyl-1,3-benzodioxole-5-methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Ethyl-1,3-benzodioxole-5-methanol?
Yes, KEHONG BIO provides custom synthesis services for alpha-Ethyl-1,3-benzodioxole-5-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.