2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-1-pentyl-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-1-pentyl- (CAS 78219-79-1) 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-pentyl-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-1-pentyl-, Orthohexanoic acid, cyclic ester with 2-(hydroxymethyl)-2-isopropyl-1,3-propanediol, 1-PENTYL-4-PROPAN-2-YL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE, 4-pentyl-1-propan-2-yl-3,5,8-trioxabicyclo[2.2.2]octane, 1-Pentyl-4-(propan-2-yl)-2,6,7-trioxabicyclo[2.2.2]octane
| Molecular Formula | C13H24O3 |
|---|---|
| Molecular Weight | 228.17 g/mol |
| LogP | 2.9399 |
| Topological Polar Surface Area | 27.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.17255 |
| Heavy Atoms | 16 |
| Complexity | 212.80289 |
Chemical Identifiers
| CAS Number | 78219-79-1 |
|---|---|
| SMILES | CCCCCC12OCC(CO1)(CO2)C(C)C |
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-1-pentyl- (CAS 78219-79-1), with molecular formula C13H24O3 and molecular weight 228.17 g/mol. IUPAC: 1-pentyl-4-propan-2-yl-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-1-pentyl-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-1-pentyl-
The XLogP value of 2.9399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-1-pentyl-. With a topological polar surface area (TPSA) of 27.69 Ų, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-1-pentyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-1-pentyl- 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 2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-1-pentyl-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-1-pentyl- is 78219-79-1.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-1-pentyl-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-1-pentyl- is C13H24O3.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-1-pentyl-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-1-pentyl- is 228.17 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-1-pentyl-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-1-pentyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-1-pentyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-isopropyl-1-pentyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.