4-Ethenyl-2,2-dimethyl-5-phenyl-1,3-dioxane
TL;DR: 4-Ethenyl-2,2-dimethyl-5-phenyl-1,3-dioxane (CAS 98608-23-2) is a chemical compound with molecular formula C14H18O2 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5S)-4-ethenyl-2,2-dimethyl-5-phenyl-1,3-dioxane
Also Known As: 4-ethenyl-2,2-dimethyl-5-phenyl-1,3-dioxane, (4R,5S)-4-ethenyl-2,2-dimethyl-5-phenyl-1,3-dioxane, 4-VINYL-2,2-DIMETHYL-5-PHENYL-1,3-DIOXANE, (4S,5S)-4-ethenyl-2,2-dimethyl-5-phenyl-1,3-dioxane, 1,3-Dioxane, 4-ethenyl-2,2-dimethyl-5-phenyl-, trans-
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.13068 |
| Heavy Atoms | 16 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 98608-23-2 |
|---|---|
| SMILES | CC1(OC[C@@H]([C@H](O1)C=C)C2=CC=CC=C2)C |
| InChIKey | NEXCBHKIFUSUQY-CHWSQXEVSA-N |
Product Overview
4-Ethenyl-2,2-dimethyl-5-phenyl-1,3-dioxane (CAS 98608-23-2), with molecular formula C14H18O2 and molecular weight 218.13 g/mol. IUPAC: (4R,5S)-4-ethenyl-2,2-dimethyl-5-phenyl-1,3-dioxane.
Chemical Property Profile of 4-Ethenyl-2,2-dimethyl-5-phenyl-1,3-dioxane
Property Insights of 4-Ethenyl-2,2-dimethyl-5-phenyl-1,3-dioxane
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethenyl-2,2-dimethyl-5-phenyl-1,3-dioxane. With a topological polar surface area (TPSA) of 18.5 Ų, 4-Ethenyl-2,2-dimethyl-5-phenyl-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethenyl-2,2-dimethyl-5-phenyl-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-Ethenyl-2,2-dimethyl-5-phenyl-1,3-dioxane?
The CAS number of 4-Ethenyl-2,2-dimethyl-5-phenyl-1,3-dioxane is 98608-23-2.
What is the molecular formula of 4-Ethenyl-2,2-dimethyl-5-phenyl-1,3-dioxane?
The molecular formula of 4-Ethenyl-2,2-dimethyl-5-phenyl-1,3-dioxane is C14H18O2.
What is the molecular weight of 4-Ethenyl-2,2-dimethyl-5-phenyl-1,3-dioxane?
The molecular weight of 4-Ethenyl-2,2-dimethyl-5-phenyl-1,3-dioxane is 218.13 g/mol.
Where can I buy 4-Ethenyl-2,2-dimethyl-5-phenyl-1,3-dioxane?
You can request a quote for 4-Ethenyl-2,2-dimethyl-5-phenyl-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-Ethenyl-2,2-dimethyl-5-phenyl-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethenyl-2,2-dimethyl-5-phenyl-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.