2,4,6-Tris(chloromethyl)-1,3,5-trioxane
TL;DR: 2,4,6-Tris(chloromethyl)-1,3,5-trioxane (CAS 1129-52-8) is a chemical compound with molecular formula C6H9Cl3O3 and molecular weight 233.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-tris(chloromethyl)-1,3,5-trioxane
Also Known As: Chloroacetaldehyde trimer, 2,4,6-Tris(chloromethyl)-1,3,5-trioxane, Trichloroparaldehyde, Acetaldehyde, chloro-, trimer, Disilane, pentamethylphenyl-
| Molecular Formula | C6H9Cl3O3 |
|---|---|
| Molecular Weight | 233.96 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.96173 |
| Heavy Atoms | 12 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 1129-52-8 |
|---|---|
| SMILES | C(C1OC(OC(O1)CCl)CCl)Cl |
| InChIKey | DZPKGHCUNRKJJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Tris(chloromethyl)-1,3,5-trioxane (CAS 1129-52-8), with molecular formula C6H9Cl3O3 and molecular weight 233.96 g/mol. IUPAC: 2,4,6-tris(chloromethyl)-1,3,5-trioxane.
Chemical Property Profile of 2,4,6-Tris(chloromethyl)-1,3,5-trioxane
Property Insights of 2,4,6-Tris(chloromethyl)-1,3,5-trioxane
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Tris(chloromethyl)-1,3,5-trioxane. With a topological polar surface area (TPSA) of 27.7 Ų, 2,4,6-Tris(chloromethyl)-1,3,5-trioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Tris(chloromethyl)-1,3,5-trioxane has 0 hydrogen bond donor(s) and 3 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 2,4,6-Tris(chloromethyl)-1,3,5-trioxane?
The CAS number of 2,4,6-Tris(chloromethyl)-1,3,5-trioxane is 1129-52-8.
What is the molecular formula of 2,4,6-Tris(chloromethyl)-1,3,5-trioxane?
The molecular formula of 2,4,6-Tris(chloromethyl)-1,3,5-trioxane is C6H9Cl3O3.
What is the molecular weight of 2,4,6-Tris(chloromethyl)-1,3,5-trioxane?
The molecular weight of 2,4,6-Tris(chloromethyl)-1,3,5-trioxane is 233.96 g/mol.
Where can I buy 2,4,6-Tris(chloromethyl)-1,3,5-trioxane?
You can request a quote for 2,4,6-Tris(chloromethyl)-1,3,5-trioxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Tris(chloromethyl)-1,3,5-trioxane?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Tris(chloromethyl)-1,3,5-trioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.