2,6,7-Trioxabicyclo(2.2.2)octane, 4-propyl-1-trifluoromethyl-
TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-propyl-1-trifluoromethyl- (CAS 5465-86-1) is a chemical compound with molecular formula C9H13F3O3 and molecular weight 226.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propyl-1-(trifluoromethyl)-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 2,6,7-Trioxabicyclo(2.2.2)octane, 4-propyl-1-trifluoromethyl-, 5-19-09-00136 (Beilstein Handbook Reference), 4-Propyl-1-trifluoromethyl-2,6,7-trioxabicycl(2.2.2)octane, 4-propyl-1-(trifluoromethyl)-2,6,7-trioxabicyclo[2.2.2]octane, 1-propyl-4-(trifluoromethyl)-3,5,8-trioxabicyclo[2.2.2]octane
| Molecular Formula | C9H13F3O3 |
|---|---|
| Molecular Weight | 226.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.08168 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 5465-86-1 |
|---|---|
| SMILES | CCCC12COC(OC1)(OC2)C(F)(F)F |
| InChIKey | NQKXYABGFZEEMO-UHFFFAOYSA-N |
Product Overview
2,6,7-Trioxabicyclo(2.2.2)octane, 4-propyl-1-trifluoromethyl- (CAS 5465-86-1), with molecular formula C9H13F3O3 and molecular weight 226.08 g/mol. IUPAC: 4-propyl-1-(trifluoromethyl)-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-propyl-1-trifluoromethyl-
Property Insights of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-propyl-1-trifluoromethyl-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-propyl-1-trifluoromethyl-. With a topological polar surface area (TPSA) of 27.7 Ų, 2,6,7-Trioxabicyclo(2.2.2)octane, 4-propyl-1-trifluoromethyl- 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-propyl-1-trifluoromethyl- has 0 hydrogen bond donor(s) and 6 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-propyl-1-trifluoromethyl-?
The CAS number of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-propyl-1-trifluoromethyl- is 5465-86-1.
What is the molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-propyl-1-trifluoromethyl-?
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-propyl-1-trifluoromethyl- is C9H13F3O3.
What is the molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-propyl-1-trifluoromethyl-?
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 4-propyl-1-trifluoromethyl- is 226.08 g/mol.
Where can I buy 2,6,7-Trioxabicyclo(2.2.2)octane, 4-propyl-1-trifluoromethyl-?
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-propyl-1-trifluoromethyl- 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-propyl-1-trifluoromethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,6,7-Trioxabicyclo(2.2.2)octane, 4-propyl-1-trifluoromethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.