5-19-09-00136 (Beilstein Handbook Reference)
TL;DR: 5-19-09-00136 (Beilstein Handbook Reference) (CAS 5465-84-9) is a chemical compound with molecular formula C9H11F5O3 and molecular weight 262.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-4-(1,1,2,2,2-pentafluoroethyl)-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 5-19-09-00136 (Beilstein Handbook Reference), Orthopropionic acid, pentafluoro-, cyclic ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol (1:1), 1-ethyl-4-(pentafluoroethyl)-2,6,7-trioxabicyclo[2.2.2]octane, Pentafluoroorthopropionic acid cyclic ester with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol, 4-ethyl-1-(1,1,2,2,2-pentafluoroethyl)-3,5,8-trioxabicyclo[2.2.2]octane
| Molecular Formula | C9H11F5O3 |
|---|---|
| Molecular Weight | 262.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.06284 |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 5465-84-9 |
|---|---|
| SMILES | CCC12OCC(CO1)(CO2)C(C(F)(F)F)(F)F |
| InChIKey | MVEILCHVGHQHFT-UHFFFAOYSA-N |
Product Overview
5-19-09-00136 (Beilstein Handbook Reference) (CAS 5465-84-9), with molecular formula C9H11F5O3 and molecular weight 262.06 g/mol. IUPAC: 1-ethyl-4-(1,1,2,2,2-pentafluoroethyl)-2,6,7-trioxabicyclo[2.2.2]octane.
Chemical Property Profile of 5-19-09-00136 (Beilstein Handbook Reference)
Property Insights of 5-19-09-00136 (Beilstein Handbook Reference)
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-19-09-00136 (Beilstein Handbook Reference). With a topological polar surface area (TPSA) of 27.7 Ų, 5-19-09-00136 (Beilstein Handbook Reference) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-19-09-00136 (Beilstein Handbook Reference) has 0 hydrogen bond donor(s) and 8 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 5-19-09-00136 (Beilstein Handbook Reference)?
The CAS number of 5-19-09-00136 (Beilstein Handbook Reference) is 5465-84-9.
What is the molecular formula of 5-19-09-00136 (Beilstein Handbook Reference)?
The molecular formula of 5-19-09-00136 (Beilstein Handbook Reference) is C9H11F5O3.
What is the molecular weight of 5-19-09-00136 (Beilstein Handbook Reference)?
The molecular weight of 5-19-09-00136 (Beilstein Handbook Reference) is 262.06 g/mol.
Where can I buy 5-19-09-00136 (Beilstein Handbook Reference)?
You can request a quote for 5-19-09-00136 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-19-09-00136 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-19-09-00136 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.