2-Ethoxy-6-morpholino-4,4-di(trifluoromethyl)-4h-1,3,5-oxadiazine
TL;DR: 2-Ethoxy-6-morpholino-4,4-di(trifluoromethyl)-4h-1,3,5-oxadiazine (CAS 52596-89-1) is a chemical compound with molecular formula C11H13F6N3O3 and molecular weight 349.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxy-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
Also Known As: NCI60_025597, 2-ethoxy-6-morpholino-4,4-di(trifluoromethyl)-4h-1,3,5-oxadiazine, Pregnan-20-one,3-[[(4-methylphenyl)sulfonyl]oxy]-, (3b,5b)-, 2-ethoxy-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine, 2-ethoxy-6-morpholino-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine
| Molecular Formula | C11H13F6N3O3 |
|---|---|
| Molecular Weight | 349.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 55.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 3 |
| Exact Mass | 349.08612 |
| Heavy Atoms | 23 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 52596-89-1 |
|---|---|
| SMILES | CCOC1=NC(N=C(O1)N2CCOCC2)(C(F)(F)F)C(F)(F)F |
| InChIKey | IWJIUZXHKYNDEZ-UHFFFAOYSA-N |
Product Overview
2-Ethoxy-6-morpholino-4,4-di(trifluoromethyl)-4h-1,3,5-oxadiazine (CAS 52596-89-1), with molecular formula C11H13F6N3O3 and molecular weight 349.09 g/mol. IUPAC: 2-ethoxy-6-morpholin-4-yl-4,4-bis(trifluoromethyl)-1,3,5-oxadiazine.
Chemical Property Profile of 2-Ethoxy-6-morpholino-4,4-di(trifluoromethyl)-4h-1,3,5-oxadiazine
Property Insights of 2-Ethoxy-6-morpholino-4,4-di(trifluoromethyl)-4h-1,3,5-oxadiazine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethoxy-6-morpholino-4,4-di(trifluoromethyl)-4h-1,3,5-oxadiazine. With a topological polar surface area (TPSA) of 55.7 Ų, 2-Ethoxy-6-morpholino-4,4-di(trifluoromethyl)-4h-1,3,5-oxadiazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethoxy-6-morpholino-4,4-di(trifluoromethyl)-4h-1,3,5-oxadiazine has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Ethoxy-6-morpholino-4,4-di(trifluoromethyl)-4h-1,3,5-oxadiazine?
The CAS number of 2-Ethoxy-6-morpholino-4,4-di(trifluoromethyl)-4h-1,3,5-oxadiazine is 52596-89-1.
What is the molecular formula of 2-Ethoxy-6-morpholino-4,4-di(trifluoromethyl)-4h-1,3,5-oxadiazine?
The molecular formula of 2-Ethoxy-6-morpholino-4,4-di(trifluoromethyl)-4h-1,3,5-oxadiazine is C11H13F6N3O3.
What is the molecular weight of 2-Ethoxy-6-morpholino-4,4-di(trifluoromethyl)-4h-1,3,5-oxadiazine?
The molecular weight of 2-Ethoxy-6-morpholino-4,4-di(trifluoromethyl)-4h-1,3,5-oxadiazine is 349.09 g/mol.
Where can I buy 2-Ethoxy-6-morpholino-4,4-di(trifluoromethyl)-4h-1,3,5-oxadiazine?
You can request a quote for 2-Ethoxy-6-morpholino-4,4-di(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-Ethoxy-6-morpholino-4,4-di(trifluoromethyl)-4h-1,3,5-oxadiazine?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxy-6-morpholino-4,4-di(trifluoromethyl)-4h-1,3,5-oxadiazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.