5-Butyl-2-(2-thienyl)-1,3-dioxane
TL;DR: 5-Butyl-2-(2-thienyl)-1,3-dioxane (CAS 337470-97-0) is a chemical compound with molecular formula C12H18O2S and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butyl-2-thiophen-2-yl-1,3-dioxane
Also Known As: 5-butyl-2-(2-thienyl)-1,3-dioxane, 5-butyl-2-thiophen-2-yl-1,3-dioxane, AA-516/12432514
| Molecular Formula | C12H18O2S |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 3.5999 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.10275 |
| Heavy Atoms | 15 |
| Complexity | 263.1593 |
Chemical Identifiers
| CAS Number | 337470-97-0 |
|---|---|
| SMILES | CCCCC1COC(OC1)C2=CC=CS2 |
Product Overview
5-Butyl-2-(2-thienyl)-1,3-dioxane (CAS 337470-97-0), with molecular formula C12H18O2S and molecular weight 226.10 g/mol. IUPAC: 5-butyl-2-thiophen-2-yl-1,3-dioxane.
Chemical Property Profile of 5-Butyl-2-(2-thienyl)-1,3-dioxane
Property Insights of 5-Butyl-2-(2-thienyl)-1,3-dioxane
The XLogP value of 3.5999 indicates that 5-Butyl-2-(2-thienyl)-1,3-dioxane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.46 Ų, 5-Butyl-2-(2-thienyl)-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Butyl-2-(2-thienyl)-1,3-dioxane 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 5-Butyl-2-(2-thienyl)-1,3-dioxane?
The CAS number of 5-Butyl-2-(2-thienyl)-1,3-dioxane is 337470-97-0.
What is the molecular formula of 5-Butyl-2-(2-thienyl)-1,3-dioxane?
The molecular formula of 5-Butyl-2-(2-thienyl)-1,3-dioxane is C12H18O2S.
What is the molecular weight of 5-Butyl-2-(2-thienyl)-1,3-dioxane?
The molecular weight of 5-Butyl-2-(2-thienyl)-1,3-dioxane is 226.10 g/mol.
Where can I buy 5-Butyl-2-(2-thienyl)-1,3-dioxane?
You can request a quote for 5-Butyl-2-(2-thienyl)-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 5-Butyl-2-(2-thienyl)-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 5-Butyl-2-(2-thienyl)-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.