RefChem:367032
TL;DR: RefChem:367032 (CAS 70636-95-2) is a chemical compound with molecular formula C12H22O3 and molecular weight 214.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-1-propyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 1-Propyl-4-tert-butylbicycloorthocarboxylate, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-tert-butyl-1-propyl-, Orthobutyric acid, cyclic ester with 2-(tert-butyl)-2-(hydroxymethyl)-1,3-propanediol, 4-TERT-BUTYL-1-PROPYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE, 1-tert-butyl-4-propyl-3,5,8-trioxabicyclo[2.2.2]octane
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 70636-95-2 |
|---|---|
| SMILES | CCCC12OCC(CO1)(CO2)C(C)(C)C |
| InChIKey | FQIMECQOOZKMKC-UHFFFAOYSA-N |
Product Overview
RefChem:367032 (CAS 70636-95-2), with molecular formula C12H22O3 and molecular weight 214.16 g/mol. IUPAC: 4-tert-butyl-1-propyl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of RefChem:367032
Property Insights of RefChem:367032
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:367032. With a topological polar surface area (TPSA) of 27.7 Ų, RefChem:367032 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:367032 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:367032?
The CAS number of RefChem:367032 is 70636-95-2.
What is the molecular formula of RefChem:367032?
The molecular formula of RefChem:367032 is C12H22O3.
What is the molecular weight of RefChem:367032?
The molecular weight of RefChem:367032 is 214.16 g/mol.
Where can I buy RefChem:367032?
You can request a quote for RefChem:367032 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:367032?
Yes, KEHONG BIO provides custom synthesis services for RefChem:367032 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.