m-Dioxane, 4,6-di-sec-butyl-
TL;DR: m-Dioxane, 4,6-di-sec-butyl- (CAS 16731-97-8) 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.
4,6-di(butan-2-yl)-1,3-dioxane
Also Known As: m-Dioxane, 4,6-di-sec-butyl-, 4,6-Disec-butyl-1,3-dioxane, 4,6-di(butan-2-yl)-1,3-dioxane, 4,6-Di-sec-butyl-1,3-dioxane, 4,6-Disec-butyl-1,3-dioxane #
| Molecular Formula | C12H24O2 |
|---|---|
| Molecular Weight | 200.18 g/mol |
| LogP | 3.7 |
| 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 | 142.0 |
Chemical Identifiers
| CAS Number | 16731-97-8 |
|---|---|
| SMILES | CCC(C)C1CC(OCO1)C(C)CC |
| InChIKey | IDWHCBUZRIOADH-UHFFFAOYSA-N |
Product Overview
m-Dioxane, 4,6-di-sec-butyl- (CAS 16731-97-8), with molecular formula C12H24O2 and molecular weight 200.18 g/mol. IUPAC: 4,6-di(butan-2-yl)-1,3-dioxane.
Chemical Property Profile of m-Dioxane, 4,6-di-sec-butyl-
Property Insights of m-Dioxane, 4,6-di-sec-butyl-
The XLogP value of 3.7 indicates that m-Dioxane, 4,6-di-sec-butyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, m-Dioxane, 4,6-di-sec-butyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, m-Dioxane, 4,6-di-sec-butyl- 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 m-Dioxane, 4,6-di-sec-butyl-?
The CAS number of m-Dioxane, 4,6-di-sec-butyl- is 16731-97-8.
What is the molecular formula of m-Dioxane, 4,6-di-sec-butyl-?
The molecular formula of m-Dioxane, 4,6-di-sec-butyl- is C12H24O2.
What is the molecular weight of m-Dioxane, 4,6-di-sec-butyl-?
The molecular weight of m-Dioxane, 4,6-di-sec-butyl- is 200.18 g/mol.
Where can I buy m-Dioxane, 4,6-di-sec-butyl-?
You can request a quote for m-Dioxane, 4,6-di-sec-butyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for m-Dioxane, 4,6-di-sec-butyl-?
Yes, KEHONG BIO provides custom synthesis services for m-Dioxane, 4,6-di-sec-butyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.