(6-Propyl-2H-1,3-benzodioxol-5-yl)methanol
TL;DR: (6-Propyl-2H-1,3-benzodioxol-5-yl)methanol (CAS 21809-60-9) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-propyl-1,3-benzodioxol-5-yl)methanol
Also Known As: 6-propylpiperonyl alcohol, (6-propyl-1,3-benzodioxol-5-yl)methanol, (6-Propyl-2H-1,3-benzodioxol-5-yl)methanol, (6-propylbenzo[1,3]dioxol-5-yl)methanol
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 21809-60-9 |
|---|---|
| SMILES | CCCC1=CC2=C(C=C1CO)OCO2 |
| InChIKey | CEHNKTWJTVYBPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(6-Propyl-2H-1,3-benzodioxol-5-yl)methanol (CAS 21809-60-9), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: (6-propyl-1,3-benzodioxol-5-yl)methanol.
Chemical Property Profile of (6-Propyl-2H-1,3-benzodioxol-5-yl)methanol
Property Insights of (6-Propyl-2H-1,3-benzodioxol-5-yl)methanol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6-Propyl-2H-1,3-benzodioxol-5-yl)methanol. With a topological polar surface area (TPSA) of 38.7 Ų, (6-Propyl-2H-1,3-benzodioxol-5-yl)methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (6-Propyl-2H-1,3-benzodioxol-5-yl)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 (6-Propyl-2H-1,3-benzodioxol-5-yl)methanol?
The CAS number of (6-Propyl-2H-1,3-benzodioxol-5-yl)methanol is 21809-60-9.
What is the molecular formula of (6-Propyl-2H-1,3-benzodioxol-5-yl)methanol?
The molecular formula of (6-Propyl-2H-1,3-benzodioxol-5-yl)methanol is C11H14O3.
What is the molecular weight of (6-Propyl-2H-1,3-benzodioxol-5-yl)methanol?
The molecular weight of (6-Propyl-2H-1,3-benzodioxol-5-yl)methanol is 194.09 g/mol.
Where can I buy (6-Propyl-2H-1,3-benzodioxol-5-yl)methanol?
You can request a quote for (6-Propyl-2H-1,3-benzodioxol-5-yl)methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6-Propyl-2H-1,3-benzodioxol-5-yl)methanol?
Yes, KEHONG BIO provides custom synthesis services for (6-Propyl-2H-1,3-benzodioxol-5-yl)methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.