Alpha-1,1-dimethylethyl-1,3-benzodioxole-5-propanol
TL;DR: Alpha-1,1-dimethylethyl-1,3-benzodioxole-5-propanol (CAS 106175-03-5) is a chemical compound with molecular formula C14H20O3 and molecular weight 236.14125 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-benzodioxol-5-yl)-4,4-dimethylpentan-3-ol
Also Known As: Stiripentol Impurity 2, Stiripentol Impurity 6, 1-(1,3-benzodioxol-5-yl)-4,4-dimethylpentan-3-ol, D 2602, D-2602
Technical Specifications
| Molecular Formula | C14H20O3 |
| Molecular Weight | 236.14125 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.14125 Da |
| Heavy Atoms | 17 |
| Complexity | 246.0 |
| SMILES | CC(C)(C)C(CCC1=CC2=C(C=C1)OCO2)O |
| InChIKey | QDFKSTRRJRMBFV-UHFFFAOYSA-N |
Chemical Property Profile of Alpha-1,1-dimethylethyl-1,3-benzodioxole-5-propanol
Property Insights of Alpha-1,1-dimethylethyl-1,3-benzodioxole-5-propanol
The XLogP value of 3.6 indicates that Alpha-1,1-dimethylethyl-1,3-benzodioxole-5-propanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, Alpha-1,1-dimethylethyl-1,3-benzodioxole-5-propanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alpha-1,1-dimethylethyl-1,3-benzodioxole-5-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
What is the CAS number of Alpha-1,1-dimethylethyl-1,3-benzodioxole-5-propanol?
The CAS number of Alpha-1,1-dimethylethyl-1,3-benzodioxole-5-propanol is 106175-03-5.
What is the molecular formula of Alpha-1,1-dimethylethyl-1,3-benzodioxole-5-propanol?
The molecular formula of Alpha-1,1-dimethylethyl-1,3-benzodioxole-5-propanol is C14H20O3.
What is the molecular weight of Alpha-1,1-dimethylethyl-1,3-benzodioxole-5-propanol?
The molecular weight of Alpha-1,1-dimethylethyl-1,3-benzodioxole-5-propanol is 236.14125 g/mol.
Where can I buy Alpha-1,1-dimethylethyl-1,3-benzodioxole-5-propanol?
You can request a quote for Alpha-1,1-dimethylethyl-1,3-benzodioxole-5-propanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Alpha-1,1-dimethylethyl-1,3-benzodioxole-5-propanol?
Yes, CoreyChem provides custom synthesis services for Alpha-1,1-dimethylethyl-1,3-benzodioxole-5-propanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.