m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)-
TL;DR: m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)- (CAS 22644-54-8) is a chemical compound with molecular formula C12H24O3 and molecular weight 216.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-propan-2-yl-5-(propan-2-yloxymethyl)-1,3-dioxane
Also Known As: starbld0001289, m-DIOXANE, 5-(ISOPROPOXYMETHYL)-2-ISOPROPYL-5-METHYL-, (E)-, 5-methyl-2-propan-2-yl-5-(propan-2-yloxymethyl)-1,3-dioxane, 5-(Isopropoxymethyl)-2-isopropyl-5-methyl-1,3-dioxane, trans-5-(Isopropoxymethyl)-2-isopropyl-5-methyl-1,3-dioxane
| Molecular Formula | C12H24O3 |
|---|---|
| Molecular Weight | 216.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 216.17255 |
| Heavy Atoms | 15 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 22644-54-8 |
|---|---|
| SMILES | CC(C)C1OCC(CO1)(C)COC(C)C |
| InChIKey | BIBPEWWZUOEEMJ-UHFFFAOYSA-N |
Product Overview
m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)- (CAS 22644-54-8), with molecular formula C12H24O3 and molecular weight 216.17 g/mol. IUPAC: 5-methyl-2-propan-2-yl-5-(propan-2-yloxymethyl)-1,3-dioxane.
Chemical Property Profile of m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)-
Property Insights of m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)-. With a topological polar surface area (TPSA) of 27.7 Ų, m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)- has 0 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 m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)-?
The CAS number of m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)- is 22644-54-8.
What is the molecular formula of m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)-?
The molecular formula of m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)- is C12H24O3.
What is the molecular weight of m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)-?
The molecular weight of m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)- is 216.17 g/mol.
Where can I buy m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)-?
You can request a quote for m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for m-Dioxane, 5-(isopropoxymethyl)-2-isopropyl-5-methyl-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.