![4-Chloromethyl-[1,3]dioxane structure](/static/products/1121/1121-62-6.webp)
4-Chloromethyl-[1,3]dioxane
TL;DR: 4-Chloromethyl-[1,3]dioxane (CAS 1121-62-6) 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.
4-(chloromethyl)-1,3-dioxane
Also Known As: 4-Chloromethyl-[1,3]dioxane, 4-(chloromethyl)-1,3-dioxane, 1,3-Dioxane,4-(chloromethyl)-, 1-chloro-2,4-methylenedioxybutane, 4-chloromethyl-1,3-dioxane
| Molecular Formula | C5H9ClO2 |
|---|---|
| Molecular Weight | 136.03 g/mol |
| LogP | 0.9882 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 136.02911 |
| Heavy Atoms | 8 |
| Complexity | 61.44901 |
Chemical Identifiers
| CAS Number | 1121-62-6 |
|---|---|
| SMILES | C1COCOC1CCl |
Product Overview
4-Chloromethyl-[1,3]dioxane (CAS 1121-62-6), with molecular formula C5H9ClO2 and molecular weight 136.03 g/mol. IUPAC: 4-(chloromethyl)-1,3-dioxane.
Chemical Property Profile of 4-Chloromethyl-[1,3]dioxane
Property Insights of 4-Chloromethyl-[1,3]dioxane
The XLogP value of 0.9882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloromethyl-[1,3]dioxane. With a topological polar surface area (TPSA) of 18.46 Ų, 4-Chloromethyl-[1,3]dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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 4-Chloromethyl-[1,3]dioxane?
The CAS number of 4-Chloromethyl-[1,3]dioxane is 1121-62-6.
What is the molecular formula of 4-Chloromethyl-[1,3]dioxane?
The molecular formula of 4-Chloromethyl-[1,3]dioxane is C5H9ClO2.
What is the molecular weight of 4-Chloromethyl-[1,3]dioxane?
The molecular weight of 4-Chloromethyl-[1,3]dioxane is 136.03 g/mol.
Where can I buy 4-Chloromethyl-[1,3]dioxane?
You can request a quote for 4-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 4-Chloromethyl-[1,3]dioxane?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloromethyl-[1,3]dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.