2-(Chloromethyl)-2-methyl-1,3-dioxolane
TL;DR: 2-(Chloromethyl)-2-methyl-1,3-dioxolane (CAS 4469-49-2) is a chemical compound with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-2-methyl-1,3-dioxolane
Also Known As: 2-(chloromethyl)-2-methyl-1,3-dioxolane, 2-Methyl-2-chloromethyl-1,3-dioxacyclopentane, RefChem:253493
| Molecular Formula | C5H9ClO2 |
|---|---|
| Molecular Weight | 136.03 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.02911 |
| Heavy Atoms | 8 |
| Complexity | 78.0 |
Chemical Identifiers
| CAS Number | 4469-49-2 |
|---|---|
| SMILES | CC1(OCCO1)CCl |
| InChIKey | VBGCEKQIYVBVEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Chloromethyl)-2-methyl-1,3-dioxolane (CAS 4469-49-2), with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol. IUPAC: 2-(chloromethyl)-2-methyl-1,3-dioxolane.
Chemical Property Profile of 2-(Chloromethyl)-2-methyl-1,3-dioxolane
Property Insights of 2-(Chloromethyl)-2-methyl-1,3-dioxolane
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Chloromethyl)-2-methyl-1,3-dioxolane. With a topological polar surface area (TPSA) of 18.5 Ų, 2-(Chloromethyl)-2-methyl-1,3-dioxolane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Chloromethyl)-2-methyl-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
Frequently Asked Questions
What is the CAS number of 2-(Chloromethyl)-2-methyl-1,3-dioxolane?
The CAS number of 2-(Chloromethyl)-2-methyl-1,3-dioxolane is 4469-49-2.
What is the molecular formula of 2-(Chloromethyl)-2-methyl-1,3-dioxolane?
The molecular formula of 2-(Chloromethyl)-2-methyl-1,3-dioxolane is C5H9ClO2.
What is the molecular weight of 2-(Chloromethyl)-2-methyl-1,3-dioxolane?
The molecular weight of 2-(Chloromethyl)-2-methyl-1,3-dioxolane is 136.03 g/mol.
Where can I buy 2-(Chloromethyl)-2-methyl-1,3-dioxolane?
You can request a quote for 2-(Chloromethyl)-2-methyl-1,3-dioxolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Chloromethyl)-2-methyl-1,3-dioxolane?
Yes, KEHONG BIO provides custom synthesis services for 2-(Chloromethyl)-2-methyl-1,3-dioxolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.