2-(Chloromethyl)-1,3-dioxane
TL;DR: 2-(Chloromethyl)-1,3-dioxane (CAS 5695-72-7) 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)-1,3-dioxane
Also Known As: 2-(Chloromethyl)-1,3-dioxane, 2-Chloromethyl-[1,3]dioxane, 2-chloromethyl-1,3-dioxane, 2-Chlormethyl-1,3-dioxan, 1,3-Dioxane, 2-(chloromethyl)-
| Molecular Formula | C5H9ClO2 |
|---|---|
| Molecular Weight | 136.03 g/mol |
| LogP | 0.8 |
| 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 | 61.0 |
Chemical Identifiers
| CAS Number | 5695-72-7 |
|---|---|
| SMILES | C1COC(OC1)CCl |
| InChIKey | KFDXDCZKRGYUAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Chloromethyl)-1,3-dioxane (CAS 5695-72-7), with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol. IUPAC: 2-(chloromethyl)-1,3-dioxane.
Chemical Property Profile of 2-(Chloromethyl)-1,3-dioxane
Property Insights of 2-(Chloromethyl)-1,3-dioxane
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Chloromethyl)-1,3-dioxane. With a topological polar surface area (TPSA) of 18.5 Ų, 2-(Chloromethyl)-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Chloromethyl)-1,3-dioxane 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)-1,3-dioxane?
The CAS number of 2-(Chloromethyl)-1,3-dioxane is 5695-72-7.
What is the molecular formula of 2-(Chloromethyl)-1,3-dioxane?
The molecular formula of 2-(Chloromethyl)-1,3-dioxane is C5H9ClO2.
What is the molecular weight of 2-(Chloromethyl)-1,3-dioxane?
The molecular weight of 2-(Chloromethyl)-1,3-dioxane is 136.03 g/mol.
Where can I buy 2-(Chloromethyl)-1,3-dioxane?
You can request a quote for 2-(Chloromethyl)-1,3-dioxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Chloromethyl)-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 2-(Chloromethyl)-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.