2-Benzyl-4-(chloromethyl)-1,3-dioxolane
TL;DR: 2-Benzyl-4-(chloromethyl)-1,3-dioxolane (CAS 100126-77-0) is a chemical compound with molecular formula C11H13ClO2 and molecular weight 212.06041 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-benzyl-4-(chloromethyl)-1,3-dioxolane
Also Known As: 2-benzyl-4-(chloromethyl)-1,3-dioxolane, 1,3-Dioxolane, 4-(chloromethyl)-2-(phenylmethyl)-
Technical Specifications
| Molecular Formula | C11H13ClO2 |
| Molecular Weight | 212.06041 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.06041 Da |
| Heavy Atoms | 14 |
| Complexity | 169.0 |
| SMILES | C1C(OC(O1)CC2=CC=CC=C2)CCl |
| InChIKey | PEXURRCXZLCCGO-UHFFFAOYSA-N |
Chemical Property Profile of 2-Benzyl-4-(chloromethyl)-1,3-dioxolane
Property Insights of 2-Benzyl-4-(chloromethyl)-1,3-dioxolane
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-4-(chloromethyl)-1,3-dioxolane. With a topological polar surface area (TPSA) of 18.5 Ų, 2-Benzyl-4-(chloromethyl)-1,3-dioxolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-4-(chloromethyl)-1,3-dioxolane 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 2-Benzyl-4-(chloromethyl)-1,3-dioxolane?
The CAS number of 2-Benzyl-4-(chloromethyl)-1,3-dioxolane is 100126-77-0.
What is the molecular formula of 2-Benzyl-4-(chloromethyl)-1,3-dioxolane?
The molecular formula of 2-Benzyl-4-(chloromethyl)-1,3-dioxolane is C11H13ClO2.
What is the molecular weight of 2-Benzyl-4-(chloromethyl)-1,3-dioxolane?
The molecular weight of 2-Benzyl-4-(chloromethyl)-1,3-dioxolane is 212.06041 g/mol.
Where can I buy 2-Benzyl-4-(chloromethyl)-1,3-dioxolane?
You can request a quote for 2-Benzyl-4-(chloromethyl)-1,3-dioxolane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Benzyl-4-(chloromethyl)-1,3-dioxolane?
Yes, CoreyChem provides custom synthesis services for 2-Benzyl-4-(chloromethyl)-1,3-dioxolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.