Ethyl 2-morpholino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate
TL;DR: Ethyl 2-morpholino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate (CAS 256325-79-8) is a chemical compound with molecular formula C16H17F3N4O4 and molecular weight 386.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-morpholin-4-yl-6-pyridin-3-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate
Also Known As: Ethyl 2-morpholino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate, ethyl 2-morpholin-4-yl-6-pyridin-3-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate, ethyl 2-morpholino-6-(pyridin-3-yl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate, Ethyl 2-(4-morpholinyl)-6-(3-pyridinyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate #, ethyl 2-(morpholin-4-yl)-6-(pyridin-3-yl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate
| Molecular Formula | C16H17F3N4O4 |
|---|---|
| Molecular Weight | 386.12 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 386.12018 |
| Heavy Atoms | 27 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 256325-79-8 |
|---|---|
| SMILES | CCOC(=O)C1(N=C(OC(=N1)N2CCOCC2)C3=CN=CC=C3)C(F)(F)F |
| InChIKey | NSDVNGYSRSMMKR-UHFFFAOYSA-N |
Product Overview
Ethyl 2-morpholino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate (CAS 256325-79-8), with molecular formula C16H17F3N4O4 and molecular weight 386.12 g/mol. IUPAC: ethyl 2-morpholin-4-yl-6-pyridin-3-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate.
Chemical Property Profile of Ethyl 2-morpholino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate
Property Insights of Ethyl 2-morpholino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-morpholino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-morpholino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-morpholino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate has 0 hydrogen bond donor(s) and 10 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-morpholino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate?
The CAS number of Ethyl 2-morpholino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate is 256325-79-8.
What is the molecular formula of Ethyl 2-morpholino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate?
The molecular formula of Ethyl 2-morpholino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate is C16H17F3N4O4.
What is the molecular weight of Ethyl 2-morpholino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate?
The molecular weight of Ethyl 2-morpholino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate is 386.12 g/mol.
Where can I buy Ethyl 2-morpholino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate?
You can request a quote for Ethyl 2-morpholino-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-morpholino-6-(3-pyridyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-morpholino-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.