RefChem:367050
TL;DR: RefChem:367050 (CAS 70636-99-6) is a chemical compound with molecular formula C13H24O3 and molecular weight 228.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-4-tert-butyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-Butyl-4-tert-butylbicycloorthocarboxylate, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-butyl-4-tert-butyl-, Orthovaleric acid, cyclic ester with 2-(tert-butyl)-2-(hydroxymethyl)-1,3-propanediol, 1-BUTYL-4-TERT-BUTYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE, 4-butyl-1-tert-butyl-3,5,8-trioxabicyclo[2.2.2]octane
| Molecular Formula | C13H24O3 |
|---|---|
| Molecular Weight | 228.17 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.17255 |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 70636-99-6 |
|---|---|
| SMILES | CCCCC12OCC(CO1)(CO2)C(C)(C)C |
| InChIKey | UKDUFUPPQRVJFK-UHFFFAOYSA-N |
Product Overview
RefChem:367050 (CAS 70636-99-6), with molecular formula C13H24O3 and molecular weight 228.17 g/mol. IUPAC: 1-butyl-4-tert-butyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:367050
Property Insights of RefChem:367050
The XLogP value of 3.0 indicates that RefChem:367050 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, RefChem:367050 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:367050 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 RefChem:367050?
The CAS number of RefChem:367050 is 70636-99-6.
What is the molecular formula of RefChem:367050?
The molecular formula of RefChem:367050 is C13H24O3.
What is the molecular weight of RefChem:367050?
The molecular weight of RefChem:367050 is 228.17 g/mol.
Where can I buy RefChem:367050?
You can request a quote for RefChem:367050 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367050?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367050 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.