1,3-Benzodioxole, 5-(chloromethyl)-
TL;DR: 1,3-Benzodioxole, 5-(chloromethyl)- (CAS 20850-43-5) is a chemical compound with molecular formula C8H7ClO2 and molecular weight 170.01346 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(chloromethyl)-1,3-benzodioxole
Also Known As: Piperonyl chloride, 5-(Chloromethyl)benzo[d][1,3]dioxole, 5-(Chloromethyl)-1,3-benzodioxole, piperonylchloride, 3,4-Methylenedioxybenzyl chloride
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H7ClO2 |
| Molecular Weight | 170.01346 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.01346 Da |
| Heavy Atoms | 11 |
| Complexity | 140.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)CCl |
| InChIKey | DWSUJONSJJTODA-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Benzodioxole, 5-(chloromethyl)-
Property Insights of 1,3-Benzodioxole, 5-(chloromethyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzodioxole, 5-(chloromethyl)-. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Benzodioxole, 5-(chloromethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Benzodioxole, 5-(chloromethyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Benzodioxole, 5-(chloromethyl)-?
The CAS number of 1,3-Benzodioxole, 5-(chloromethyl)- is 20850-43-5.
What is the molecular formula of 1,3-Benzodioxole, 5-(chloromethyl)-?
The molecular formula of 1,3-Benzodioxole, 5-(chloromethyl)- is C8H7ClO2.
What is the molecular weight of 1,3-Benzodioxole, 5-(chloromethyl)-?
The molecular weight of 1,3-Benzodioxole, 5-(chloromethyl)- is 170.01346 g/mol.
Where can I buy 1,3-Benzodioxole, 5-(chloromethyl)-?
You can request a quote for 1,3-Benzodioxole, 5-(chloromethyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Benzodioxole, 5-(chloromethyl)-?
Yes, CoreyChem provides custom synthesis services for 1,3-Benzodioxole, 5-(chloromethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.