N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide

Catalog No: FT-0730872

CAS No: 148672-13-3

Chemical Name: N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-[2-methyl-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
Molecular Formula: C29H31N5O3
Molecular Weight: 497.6
InChI Key: YDBCEBYHYKAFRX-UHFFFAOYSA-N
InChI: InChI=1S/C29H31N5O3/c1-19-17-23(28-30-20(2)37-32-28)9-11-25(19)21-5-7-22(8-6-21)29(35)31-24-10-12-27(36-4)26(18-24)34-15-13-33(3)14-16-34/h5-12,17-18H,13-16H2,1-4H3,(H,31,35)

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Base Information
Chemical Information

FW:	497.588
CAS:	148672-13-3
Bolling_Point:	N/A
MF:	C29H31N5O3
Product_Name:	GR-127935
Melting_Point:	N/A
Flash_Point:	N/A
Density:	1.2±0.1 g/cm3

Density:	1.2±0.1 g/cm3
MF:	C29H31N5O3
Computational_Chemistry:	['1. XlogP :49 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :6 ', '5. Isotope Atom Count :2 ', '6. TPSA 837 ', '7. Heavy Atom Count :37 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :739 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
LogP:	4.31
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL, 20 ℃ ）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC 10mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºF）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 可Soluble in Water ']
PSA:	83.73000
Refractive_Index:	1.620
FW:	497.588
Exact_Mass:	497.242676
Molecular_Structure:	['1. Molar refractive index 1433 ', '2. Molar volume 4079 ', '3. Parachor （902K）10982 ', '4. Surface tension 525 ', '5. Dielectric constant N/A ', '6. Polarizability 568 ', '7. Single isotope mass 49724269 Da ', '8. Nominal mass 497 Da ', '9. Average mass 4975881 Da']