Ethyl 2-piperidino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate
TL;DR: Ethyl 2-piperidino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate (CAS 352319-13-2) is a chemical compound with molecular formula C17H19F3N4O3 and molecular weight 384.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-piperidin-1-yl-6-pyridin-3-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate
Also Known As: Ethyl 2-piperidino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate, ethyl 2-(piperidin-1-yl)-6-(pyridin-3-yl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate, ethyl 2-piperidin-1-yl-6-pyridin-3-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate, 2-Piperidin-1-yl-6-pyridin-3-yl-4-trifluoromethyl-4H-[1,3,5]oxadiazine-4-carboxylic acid ethyl ester, Ethyl 2-(1-piperidinyl)-6-(3-pyridinyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate
| Molecular Formula | C17H19F3N4O3 |
|---|---|
| Molecular Weight | 384.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 76.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.14093 |
| Heavy Atoms | 27 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 352319-13-2 |
|---|---|
| SMILES | CCOC(=O)C1(N=C(OC(=N1)N2CCCCC2)C3=CN=CC=C3)C(F)(F)F |
| InChIKey | LPIWIHWQKBLURN-UHFFFAOYSA-N |
Product Overview
Ethyl 2-piperidino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate (CAS 352319-13-2), with molecular formula C17H19F3N4O3 and molecular weight 384.14 g/mol. IUPAC: ethyl 2-piperidin-1-yl-6-pyridin-3-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate.
Chemical Property Profile of Ethyl 2-piperidino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate
Property Insights of Ethyl 2-piperidino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-piperidino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate. The TPSA of 76.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-piperidino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-piperidino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate has 0 hydrogen bond donor(s) and 9 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 Ethyl 2-piperidino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate?
The CAS number of Ethyl 2-piperidino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate is 352319-13-2.
What is the molecular formula of Ethyl 2-piperidino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate?
The molecular formula of Ethyl 2-piperidino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate is C17H19F3N4O3.
What is the molecular weight of Ethyl 2-piperidino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate?
The molecular weight of Ethyl 2-piperidino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate is 384.14 g/mol.
Where can I buy Ethyl 2-piperidino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate?
You can request a quote for Ethyl 2-piperidino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-piperidino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-piperidino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.