2-(1,3-Benzodioxol-5-ylmethyl)butane-1,4-diol
TL;DR: 2-(1,3-Benzodioxol-5-ylmethyl)butane-1,4-diol (CAS 100257-69-0) is a chemical compound with molecular formula C12H16O4 and molecular weight 224.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
Also Known As: 2-piperonyl-butane-1,4-diol, 2-(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H16O4 |
| Molecular Weight | 224.10486 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 224.10486 Da |
| Heavy Atoms | 16 |
| Complexity | 209.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)CC(CCO)CO |
| InChIKey | OFKDGSRWBKQUAY-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1,3-Benzodioxol-5-ylmethyl)butane-1,4-diol
Property Insights of 2-(1,3-Benzodioxol-5-ylmethyl)butane-1,4-diol
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzodioxol-5-ylmethyl)butane-1,4-diol. With a topological polar surface area (TPSA) of 58.9 Ų, 2-(1,3-Benzodioxol-5-ylmethyl)butane-1,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-ylmethyl)butane-1,4-diol has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(1,3-Benzodioxol-5-ylmethyl)butane-1,4-diol?
The CAS number of 2-(1,3-Benzodioxol-5-ylmethyl)butane-1,4-diol is 100257-69-0.
What is the molecular formula of 2-(1,3-Benzodioxol-5-ylmethyl)butane-1,4-diol?
The molecular formula of 2-(1,3-Benzodioxol-5-ylmethyl)butane-1,4-diol is C12H16O4.
What is the molecular weight of 2-(1,3-Benzodioxol-5-ylmethyl)butane-1,4-diol?
The molecular weight of 2-(1,3-Benzodioxol-5-ylmethyl)butane-1,4-diol is 224.10486 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-ylmethyl)butane-1,4-diol?
You can request a quote for 2-(1,3-Benzodioxol-5-ylmethyl)butane-1,4-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1,3-Benzodioxol-5-ylmethyl)butane-1,4-diol?
Yes, CoreyChem provides custom synthesis services for 2-(1,3-Benzodioxol-5-ylmethyl)butane-1,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.