2,4,6-Tris(2-chloropropan-2-yl)-1,3,5-trioxane
TL;DR: 2,4,6-Tris(2-chloropropan-2-yl)-1,3,5-trioxane (CAS 7471-98-9) is a chemical compound with molecular formula C12H21Cl3O3 and molecular weight 318.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,6-tris(2-chloropropan-2-yl)-1,3,5-trioxane
Also Known As: 2,4,6-tris(2-chloropropan-2-yl)-1,3,5-trioxane, 2,4,6-Tris(2-chloro-2-propyl)-1,3,5-trioxane, J3.538.031K, 2,4,6-Tri(1-methyl-1-chloroethyl)-1,3,5-trioxane, 2,4,6-tris(1-chloro-1-methyl-ethyl)-1,3,5-trioxane
| Molecular Formula | C12H21Cl3O3 |
|---|---|
| Molecular Weight | 318.06 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.05563 |
| Heavy Atoms | 18 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 7471-98-9 |
|---|---|
| SMILES | CC(C)(C1OC(OC(O1)C(C)(C)Cl)C(C)(C)Cl)Cl |
| InChIKey | JUEGKELCXWTJQB-UHFFFAOYSA-N |
Product Overview
2,4,6-Tris(2-chloropropan-2-yl)-1,3,5-trioxane (CAS 7471-98-9), with molecular formula C12H21Cl3O3 and molecular weight 318.06 g/mol. IUPAC: 2,4,6-tris(2-chloropropan-2-yl)-1,3,5-trioxane.
Chemical Property Profile of 2,4,6-Tris(2-chloropropan-2-yl)-1,3,5-trioxane
Property Insights of 2,4,6-Tris(2-chloropropan-2-yl)-1,3,5-trioxane
The XLogP value of 3.7 indicates that 2,4,6-Tris(2-chloropropan-2-yl)-1,3,5-trioxane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 2,4,6-Tris(2-chloropropan-2-yl)-1,3,5-trioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Tris(2-chloropropan-2-yl)-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(2-chloropropan-2-yl)-1,3,5-trioxane?
The CAS number of 2,4,6-Tris(2-chloropropan-2-yl)-1,3,5-trioxane is 7471-98-9.
What is the molecular formula of 2,4,6-Tris(2-chloropropan-2-yl)-1,3,5-trioxane?
The molecular formula of 2,4,6-Tris(2-chloropropan-2-yl)-1,3,5-trioxane is C12H21Cl3O3.
What is the molecular weight of 2,4,6-Tris(2-chloropropan-2-yl)-1,3,5-trioxane?
The molecular weight of 2,4,6-Tris(2-chloropropan-2-yl)-1,3,5-trioxane is 318.06 g/mol.
Where can I buy 2,4,6-Tris(2-chloropropan-2-yl)-1,3,5-trioxane?
You can request a quote for 2,4,6-Tris(2-chloropropan-2-yl)-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(2-chloropropan-2-yl)-1,3,5-trioxane?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Tris(2-chloropropan-2-yl)-1,3,5-trioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.