1,3-Dioxane, 5,5-diethyl-2-methyl-2-propyl-
TL;DR: 1,3-Dioxane, 5,5-diethyl-2-methyl-2-propyl- (CAS 500346-47-4) is a chemical compound with molecular formula C12H24O2 and molecular weight 200.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-diethyl-2-methyl-2-propyl-1,3-dioxane
Also Known As: 5,5-diethyl-2-methyl-2-propyl-1,3-dioxane, 1,3-DIOXANE, 5,5-DIETHYL-2-METHYL-2-PROPYL-, 1,3-Dioxane, 5,5-diethyl-2-methyl-2-propyl- (9CI)
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.17763 |
| Heavy Atoms | 14 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 500346-47-4 |
|---|---|
| SMILES | CCCC1(OCC(CO1)(CC)CC)C |
| InChIKey | LAJILYRARNHUSU-UHFFFAOYSA-N |
Product Overview
1,3-Dioxane, 5,5-diethyl-2-methyl-2-propyl- (CAS 500346-47-4), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: 5,5-diethyl-2-methyl-2-propyl-1,3-dioxane.
Chemical Property Profile of 1,3-Dioxane, 5,5-diethyl-2-methyl-2-propyl-
Property Insights of 1,3-Dioxane, 5,5-diethyl-2-methyl-2-propyl-
The XLogP value of 3.2 indicates that 1,3-Dioxane, 5,5-diethyl-2-methyl-2-propyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Dioxane, 5,5-diethyl-2-methyl-2-propyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxane, 5,5-diethyl-2-methyl-2-propyl- 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 1,3-Dioxane, 5,5-diethyl-2-methyl-2-propyl-?
The CAS number of 1,3-Dioxane, 5,5-diethyl-2-methyl-2-propyl- is 500346-47-4.
What is the molecular formula of 1,3-Dioxane, 5,5-diethyl-2-methyl-2-propyl-?
The molecular formula of 1,3-Dioxane, 5,5-diethyl-2-methyl-2-propyl- is C12H24O2.
What is the molecular weight of 1,3-Dioxane, 5,5-diethyl-2-methyl-2-propyl-?
The molecular weight of 1,3-Dioxane, 5,5-diethyl-2-methyl-2-propyl- is 200.18 g/mol.
Where can I buy 1,3-Dioxane, 5,5-diethyl-2-methyl-2-propyl-?
You can request a quote for 1,3-Dioxane, 5,5-diethyl-2-methyl-2-propyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxane, 5,5-diethyl-2-methyl-2-propyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxane, 5,5-diethyl-2-methyl-2-propyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.