1-(1,3-Benzodioxol-5-yl)-2-methyl-1-propanol
TL;DR: 1-(1,3-Benzodioxol-5-yl)-2-methyl-1-propanol (CAS 7228-18-4) 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.
1-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol
Also Known As: 1-(benzo[d][1,3]dioxol-5-yl)-2-methylpropan-1-ol, 1-(1,3-benzodioxol-5-yl)-2-methyl-1-propanol, 1-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol, 1-benzo[1,3]dioxol-5-yl-2-methyl-propan-1-ol
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 7228-18-4 |
|---|---|
| SMILES | CC(C)C(C1=CC2=C(C=C1)OCO2)O |
| InChIKey | DQOWDEQSRZTALU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1,3-Benzodioxol-5-yl)-2-methyl-1-propanol (CAS 7228-18-4), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-methylpropan-1-ol.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-yl)-2-methyl-1-propanol
Property Insights of 1-(1,3-Benzodioxol-5-yl)-2-methyl-1-propanol
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,3-Benzodioxol-5-yl)-2-methyl-1-propanol. With a topological polar surface area (TPSA) of 38.7 Ų, 1-(1,3-Benzodioxol-5-yl)-2-methyl-1-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-yl)-2-methyl-1-propanol 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-(1,3-Benzodioxol-5-yl)-2-methyl-1-propanol?
The CAS number of 1-(1,3-Benzodioxol-5-yl)-2-methyl-1-propanol is 7228-18-4.
What is the molecular formula of 1-(1,3-Benzodioxol-5-yl)-2-methyl-1-propanol?
The molecular formula of 1-(1,3-Benzodioxol-5-yl)-2-methyl-1-propanol is C11H14O3.
What is the molecular weight of 1-(1,3-Benzodioxol-5-yl)-2-methyl-1-propanol?
The molecular weight of 1-(1,3-Benzodioxol-5-yl)-2-methyl-1-propanol is 194.09 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-yl)-2-methyl-1-propanol?
You can request a quote for 1-(1,3-Benzodioxol-5-yl)-2-methyl-1-propanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-yl)-2-methyl-1-propanol?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-yl)-2-methyl-1-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.