5-Ethyl-2-phenyl-1,3-dioxane-5-methanol
TL;DR: 5-Ethyl-2-phenyl-1,3-dioxane-5-methanol (CAS 82494-20-0) is a chemical compound with molecular formula C13H18O3 and molecular weight 222.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-ethyl-2-phenyl-1,3-dioxan-5-yl)methanol
Also Known As: 5-Ethyl-2-phenyl-1,3-dioxane-5-methanol, EINECS 244-867-5, (5-Ethyl-2-phenyl-1,3-dioxan-5-yl)methanol, 1,3-Dioxane-5-methanol, 5-ethyl-2-phenyl-, 2-Phenyl-5-ethyl-1,3-dioxane-5-methanol
| Molecular Formula | C13H18O3 |
|---|---|
| Molecular Weight | 222.13 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.1256 |
| Heavy Atoms | 16 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 82494-20-0 |
|---|---|
| SMILES | CCC1(COC(OC1)C2=CC=CC=C2)CO |
| InChIKey | GMXSKCYQYXMJFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Ethyl-2-phenyl-1,3-dioxane-5-methanol (CAS 82494-20-0), with molecular formula C13H18O3 and molecular weight 222.13 g/mol. IUPAC: (5-ethyl-2-phenyl-1,3-dioxan-5-yl)methanol.
Chemical Property Profile of 5-Ethyl-2-phenyl-1,3-dioxane-5-methanol
Property Insights of 5-Ethyl-2-phenyl-1,3-dioxane-5-methanol
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethyl-2-phenyl-1,3-dioxane-5-methanol. With a topological polar surface area (TPSA) of 38.7 Ų, 5-Ethyl-2-phenyl-1,3-dioxane-5-methanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethyl-2-phenyl-1,3-dioxane-5-methanol has 1 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 5-Ethyl-2-phenyl-1,3-dioxane-5-methanol?
The CAS number of 5-Ethyl-2-phenyl-1,3-dioxane-5-methanol is 82494-20-0.
What is the molecular formula of 5-Ethyl-2-phenyl-1,3-dioxane-5-methanol?
The molecular formula of 5-Ethyl-2-phenyl-1,3-dioxane-5-methanol is C13H18O3.
What is the molecular weight of 5-Ethyl-2-phenyl-1,3-dioxane-5-methanol?
The molecular weight of 5-Ethyl-2-phenyl-1,3-dioxane-5-methanol is 222.13 g/mol.
Where can I buy 5-Ethyl-2-phenyl-1,3-dioxane-5-methanol?
You can request a quote for 5-Ethyl-2-phenyl-1,3-dioxane-5-methanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl-2-phenyl-1,3-dioxane-5-methanol?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-2-phenyl-1,3-dioxane-5-methanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.