(2S)-2-(butylsulfonylamino)-3-[4-(4-piperidin-4-ylbutoxy)phenyl]propanoic acid

Catalog No: FT-0773940

CAS No: 144494-65-5

Molecular Formula: 477.1
Formula Weight: C22H37ClN2O5S
Inchl Key: KPKFFYOMPGOQRP-BOXHHOBZSA-N
Inchl: InChI=1S/C22H36N2O5S.ClH/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18;/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26);1H/t21-;/m0./s1

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Bolling_Point:	611.7±65.0 °C at 760 mmHg
Vapor_Pressure:	0.0±1.8 mmHg at 25°C
More_Info:	['1. Appearance White Solid ', '2. Melting point（ºC）223～225']
LogP:	4.14
Computational_Chemistry:	['1. XlogP :14 ', '2. Hydrogen Bond Donor Count :3 ', '3. Hydrogen Bond Acceptor Count :7 ', '4. Rotatable Bond Count :14 ', '5. Isotope Atom Count :N/A ', '6. TPSA 113 ', '7. Heavy Atom Count :30 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :579 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Melting_Point:	223-225ºC
Exact_Mass:	440.234497
MF:	C22H36N2O5S
Density:	1.2±0.1 g/cm3
FW:	440.597
PSA:	113.11000
Flash_Point:	323.7±34.3 °C
Molecular_Structure:	['1 . Molar refractive index 11826 ', '2 . Molar volume 3816 ', '3 . Parachor （902K）9945 ', '4 . Surface tension 461 ', '5 . Polarizability 4688']
Refractive_Index:	1.532