5-Chloro-6-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole
TL;DR: 5-Chloro-6-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole (CAS 116055-12-0) is a chemical compound with molecular formula C11H11ClO4 and molecular weight 242.03459 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-chloro-6-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole
Also Known As: 5-chloro-6-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole, 5-chloro-6-(4-methyl-[1,3]dioxolan-2-yl)-benzo[1,3]dioxole
Technical Specifications
| Molecular Formula | C11H11ClO4 |
| Molecular Weight | 242.03459 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 242.03459 Da |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
| SMILES | CC1COC(O1)C2=CC3=C(C=C2Cl)OCO3 |
| InChIKey | UTIZIJGZPHPMHN-UHFFFAOYSA-N |
Chemical Property Profile of 5-Chloro-6-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole
Property Insights of 5-Chloro-6-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Chloro-6-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole. With a topological polar surface area (TPSA) of 36.9 Ų, 5-Chloro-6-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-6-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole has 0 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 5-Chloro-6-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole?
The CAS number of 5-Chloro-6-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole is 116055-12-0.
What is the molecular formula of 5-Chloro-6-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole?
The molecular formula of 5-Chloro-6-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole is C11H11ClO4.
What is the molecular weight of 5-Chloro-6-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole?
The molecular weight of 5-Chloro-6-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole is 242.03459 g/mol.
Where can I buy 5-Chloro-6-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole?
You can request a quote for 5-Chloro-6-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Chloro-6-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole?
Yes, CoreyChem provides custom synthesis services for 5-Chloro-6-(4-methyl-1,3-dioxolan-2-yl)-1,3-benzodioxole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.