2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine
TL;DR: 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine (CAS 340031-06-3) is a chemical compound with molecular formula C13H11F12N3O and molecular weight 453.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
Also Known As: 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine, 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(1-piperidyl)-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine, 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
| Molecular Formula | C13H11F12N3O |
|---|---|
| Molecular Weight | 453.07 g/mol |
| LogP | 4.8187 |
| Topological Polar Surface Area | 37.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 453.07104 |
| Heavy Atoms | 29 |
| Complexity | 638.488 |
Chemical Identifiers
| CAS Number | 340031-06-3 |
|---|---|
| SMILES | C1CCN(CC1)C2=NC(N=C(O2)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F |
Product Overview
2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine (CAS 340031-06-3), with molecular formula C13H11F12N3O and molecular weight 453.07 g/mol. IUPAC: 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-piperidin-1-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine.
Chemical Property Profile of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine
Property Insights of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine
The XLogP value of 4.8187 indicates that 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.19 Ų, 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine has 0 hydrogen bond donor(s) and 4 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-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine?
The CAS number of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine is 340031-06-3.
What is the molecular formula of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine?
The molecular formula of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine is C13H11F12N3O.
What is the molecular weight of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine?
The molecular weight of 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine is 453.07 g/mol.
Where can I buy 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine?
You can request a quote for 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(piperidin-1-yl)-4,4-bis(trifluoromethyl)-4H-1,3,5-oxadiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.