cis-2-Ethyl-5-methyl-1,3-dioxane
TL;DR: cis-2-Ethyl-5-methyl-1,3-dioxane (CAS 20627-54-7) is a chemical compound with molecular formula C7H14O2 and molecular weight 130.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-5-methyl-1,3-dioxane
Also Known As: 2-Ethyl-5-methyl-1,3-dioxane, cis-2-Ethyl-5-methyl-1,3-dioxane, m-Dioxane, 2-ethyl-5-methyl-, trans-2-Ethyl-5-methyl-1,3-dioxane, 1,3-Dioxane, 2-ethyl-5-methyl-
| Molecular Formula | C7H14O2 |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 75.0 |
Chemical Identifiers
| CAS Number | 20627-54-7 |
|---|---|
| SMILES | CCC1OCC(CO1)C |
| InChIKey | XJSQEWBQHRJJSD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
cis-2-Ethyl-5-methyl-1,3-dioxane (CAS 20627-54-7), with molecular formula C7H14O2 and molecular weight 130.10 g/mol. IUPAC: 2-ethyl-5-methyl-1,3-dioxane.
Chemical Property Profile of cis-2-Ethyl-5-methyl-1,3-dioxane
Property Insights of cis-2-Ethyl-5-methyl-1,3-dioxane
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-2-Ethyl-5-methyl-1,3-dioxane. With a topological polar surface area (TPSA) of 18.5 Ų, cis-2-Ethyl-5-methyl-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-2-Ethyl-5-methyl-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 cis-2-Ethyl-5-methyl-1,3-dioxane?
The CAS number of cis-2-Ethyl-5-methyl-1,3-dioxane is 20627-54-7.
What is the molecular formula of cis-2-Ethyl-5-methyl-1,3-dioxane?
The molecular formula of cis-2-Ethyl-5-methyl-1,3-dioxane is C7H14O2.
What is the molecular weight of cis-2-Ethyl-5-methyl-1,3-dioxane?
The molecular weight of cis-2-Ethyl-5-methyl-1,3-dioxane is 130.10 g/mol.
Where can I buy cis-2-Ethyl-5-methyl-1,3-dioxane?
You can request a quote for cis-2-Ethyl-5-methyl-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 cis-2-Ethyl-5-methyl-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for cis-2-Ethyl-5-methyl-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.