Methyl 2-morpholin-4-yl-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate
TL;DR: Methyl 2-morpholin-4-yl-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate (CAS 714240-62-7) is a chemical compound with molecular formula C16H15F3N4O6 and molecular weight 416.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-morpholin-4-yl-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate
Also Known As: Methyl 2-morpholin-4-yl-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate, methyl 2-(morpholin-4-yl)-6-(3-nitrophenyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate, methyl 2-morpholino-6-(3-nitrophenyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate
| Molecular Formula | C16H15F3N4O6 |
|---|---|
| Molecular Weight | 416.09 g/mol |
| LogP | 1.4914 |
| Topological Polar Surface Area | 115.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.09436 |
| Heavy Atoms | 29 |
| Complexity | 881.65125 |
Chemical Identifiers
| CAS Number | 714240-62-7 |
|---|---|
| SMILES | COC(=O)C1(N=C(OC(=N1)N2CCOCC2)C3=CC(=CC=C3)[N+](=O)[O-])C(F)(F)F |
Product Overview
Methyl 2-morpholin-4-yl-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate (CAS 714240-62-7), with molecular formula C16H15F3N4O6 and molecular weight 416.09 g/mol. IUPAC: methyl 2-morpholin-4-yl-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate.
Chemical Property Profile of Methyl 2-morpholin-4-yl-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate
Property Insights of Methyl 2-morpholin-4-yl-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate
The XLogP value of 1.4914 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-morpholin-4-yl-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate. The TPSA of 115.86 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-morpholin-4-yl-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate. Following Lipinski's Rule of Five, Methyl 2-morpholin-4-yl-6-(3-nitrophenyl)-4-(trifluoromethyl)-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 Methyl 2-morpholin-4-yl-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate?
The CAS number of Methyl 2-morpholin-4-yl-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate is 714240-62-7.
What is the molecular formula of Methyl 2-morpholin-4-yl-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate?
The molecular formula of Methyl 2-morpholin-4-yl-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate is C16H15F3N4O6.
What is the molecular weight of Methyl 2-morpholin-4-yl-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate?
The molecular weight of Methyl 2-morpholin-4-yl-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate is 416.09 g/mol.
Where can I buy Methyl 2-morpholin-4-yl-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate?
You can request a quote for Methyl 2-morpholin-4-yl-6-(3-nitrophenyl)-4-(trifluoromethyl)-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 Methyl 2-morpholin-4-yl-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-morpholin-4-yl-6-(3-nitrophenyl)-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.