methyl 2-(2,4-dichlorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate
TL;DR: methyl 2-(2,4-dichlorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate (CAS 489433-18-3) is a chemical compound with molecular formula C17H16Cl2F3N3O3 and molecular weight 437.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,4-dichlorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate
Also Known As: methyl 2-(2,4-dichlorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate, 2-(2,4-Dichloro-phenyl)-6-piperidin-1-yl-4-trifluoromethyl-4H-[1,3,5]oxadiazine-4-carboxylic acid methyl ester, methyl 2-(2,4-dichlorophenyl)-6-(piperidin-1-yl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate, Methyl 2-(2,4-dichlorophenyl)-6-(1-piperidinyl)-4-(trifluoromethyl)-4H-1,3,5-oxadiazine-4-carboxylate #
| Molecular Formula | C17H16Cl2F3N3O3 |
|---|---|
| Molecular Weight | 437.05 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 63.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.0521 |
| Heavy Atoms | 28 |
| Complexity | 668.0 |
Chemical Identifiers
| CAS Number | 489433-18-3 |
|---|---|
| SMILES | COC(=O)C1(N=C(OC(=N1)N2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C(F)(F)F |
| InChIKey | DIBYYUDCUWPQTE-UHFFFAOYSA-N |
Product Overview
methyl 2-(2,4-dichlorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate (CAS 489433-18-3), with molecular formula C17H16Cl2F3N3O3 and molecular weight 437.05 g/mol. IUPAC: methyl 2-(2,4-dichlorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate.
Chemical Property Profile of methyl 2-(2,4-dichlorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate
Property Insights of methyl 2-(2,4-dichlorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate
The XLogP value of 4.6 indicates that methyl 2-(2,4-dichlorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.5 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2,4-dichlorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate. Following Lipinski's Rule of Five, methyl 2-(2,4-dichlorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate has 0 hydrogen bond donor(s) and 8 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-(2,4-dichlorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate?
The CAS number of methyl 2-(2,4-dichlorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate is 489433-18-3.
What is the molecular formula of methyl 2-(2,4-dichlorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate?
The molecular formula of methyl 2-(2,4-dichlorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate is C17H16Cl2F3N3O3.
What is the molecular weight of methyl 2-(2,4-dichlorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate?
The molecular weight of methyl 2-(2,4-dichlorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate is 437.05 g/mol.
Where can I buy methyl 2-(2,4-dichlorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate?
You can request a quote for methyl 2-(2,4-dichlorophenyl)-6-piperidin-1-yl-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-(2,4-dichlorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2,4-dichlorophenyl)-6-piperidin-1-yl-4-(trifluoromethyl)-1,3,5-oxadiazine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.