2-(2-Chlorophenyl)-4,4,6-trimethyl-1,3-dioxane
TL;DR: 2-(2-Chlorophenyl)-4,4,6-trimethyl-1,3-dioxane (CAS 6413-66-7) is a chemical compound with molecular formula C13H17ClO2 and molecular weight 240.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chlorophenyl)-4,4,6-trimethyl-1,3-dioxane
Also Known As: 2-(2-chlorophenyl)-4,4,6-trimethyl-1,3-dioxane
| Molecular Formula | C13H17ClO2 |
|---|---|
| Molecular Weight | 240.09 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.0917 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 6413-66-7 |
|---|---|
| SMILES | CC1CC(OC(O1)C2=CC=CC=C2Cl)(C)C |
| InChIKey | HRYXTENFHIJVFX-UHFFFAOYSA-N |
Product Overview
2-(2-Chlorophenyl)-4,4,6-trimethyl-1,3-dioxane (CAS 6413-66-7), with molecular formula C13H17ClO2 and molecular weight 240.09 g/mol. IUPAC: 2-(2-chlorophenyl)-4,4,6-trimethyl-1,3-dioxane.
Chemical Property Profile of 2-(2-Chlorophenyl)-4,4,6-trimethyl-1,3-dioxane
Property Insights of 2-(2-Chlorophenyl)-4,4,6-trimethyl-1,3-dioxane
The XLogP value of 3.4 indicates that 2-(2-Chlorophenyl)-4,4,6-trimethyl-1,3-dioxane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 2-(2-Chlorophenyl)-4,4,6-trimethyl-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Chlorophenyl)-4,4,6-trimethyl-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-(2-Chlorophenyl)-4,4,6-trimethyl-1,3-dioxane?
The CAS number of 2-(2-Chlorophenyl)-4,4,6-trimethyl-1,3-dioxane is 6413-66-7.
What is the molecular formula of 2-(2-Chlorophenyl)-4,4,6-trimethyl-1,3-dioxane?
The molecular formula of 2-(2-Chlorophenyl)-4,4,6-trimethyl-1,3-dioxane is C13H17ClO2.
What is the molecular weight of 2-(2-Chlorophenyl)-4,4,6-trimethyl-1,3-dioxane?
The molecular weight of 2-(2-Chlorophenyl)-4,4,6-trimethyl-1,3-dioxane is 240.09 g/mol.
Where can I buy 2-(2-Chlorophenyl)-4,4,6-trimethyl-1,3-dioxane?
You can request a quote for 2-(2-Chlorophenyl)-4,4,6-trimethyl-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-(2-Chlorophenyl)-4,4,6-trimethyl-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chlorophenyl)-4,4,6-trimethyl-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.