![(1R,3R,4S,5S)-3-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane structure](/static/products/7223/72230-90-1.webp)
(1R,3R,4S,5S)-3-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane
TL;DR: (1R,3R,4S,5S)-3-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane (CAS 72230-90-1) is a chemical compound with molecular formula C13H24O and molecular weight 196.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1R,3R,4S,5S)-3-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane
Also Known As: 3-Butyl-1,5-dimethyl-2-oxabicyclo(2.2.2)octane, 2-Oxabicyclo(2.2.2)octane, 3-butyl-1,5-dimethyl-, (1S,2R,4R,6S)-2-butyl-4,6-dimethyl-3-oxabicyclo[2.2.2]octane
| Molecular Formula | C13H24O |
|---|---|
| Molecular Weight | 196.18 g/mol |
| LogP | 3.7703 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.18271 |
| Heavy Atoms | 14 |
| Complexity | 201.41225 |
Chemical Identifiers
| CAS Number | 72230-90-1 |
|---|---|
| SMILES | CCCC[C@@H]1[C@H]2CC[C@@](O1)(C[C@@H]2C)C |
Product Overview
(1R,3R,4S,5S)-3-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane (CAS 72230-90-1), with molecular formula C13H24O and molecular weight 196.18 g/mol. IUPAC: (1R,3R,4S,5S)-3-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane.
Chemical Property Profile of (1R,3R,4S,5S)-3-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane
Property Insights of (1R,3R,4S,5S)-3-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane
The XLogP value of 3.7703 indicates that (1R,3R,4S,5S)-3-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, (1R,3R,4S,5S)-3-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,3R,4S,5S)-3-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane has 0 hydrogen bond donor(s) and 1 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 (1R,3R,4S,5S)-3-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane?
The CAS number of (1R,3R,4S,5S)-3-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane is 72230-90-1.
What is the molecular formula of (1R,3R,4S,5S)-3-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane?
The molecular formula of (1R,3R,4S,5S)-3-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane is C13H24O.
What is the molecular weight of (1R,3R,4S,5S)-3-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane?
The molecular weight of (1R,3R,4S,5S)-3-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane is 196.18 g/mol.
Where can I buy (1R,3R,4S,5S)-3-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane?
You can request a quote for (1R,3R,4S,5S)-3-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,3R,4S,5S)-3-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane?
Yes, KEHONG BIO provides custom synthesis services for (1R,3R,4S,5S)-3-butyl-1,5-dimethyl-2-oxabicyclo[2.2.2]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.