Molecular Formula: 526.1
Formula Weight: C25H36ClN3O5S
Inchl Key: ILVSMEXNXGFDPM-VDGAXYAQSA-N
Inchl: InChI=1S/C25H36ClN3O5S/c1-6-8-19(23(32)35-15-17-10-12-18(26)13-11-17)28-21(30)20-9-7-14-29(20)22(31)16(2)27-24(33)34-25(3,4)5/h10-13,16,19-20H,6-9,14-15H2,1-5H3,(H,27,33)(H,28,30)/t16-,19-,20-/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

Product_Name:	S-[(4-chlorophenyl)methyl] 2-[[1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]amino]pentanethioate
Flash_Point:	N/A
Melting_Point:	N/A
FW:	526.08800
Density:	N/A
CAS:	90171-50-9
Bolling_Point:	N/A
MF:	C25H36ClN3O5S

Computational_Chemistry:	['1. XlogP :46 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :12 ', '5. Isotope Atom Count :4 ', '6. TPSA 130 ', '7. Heavy Atom Count :35 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :752 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :3 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
Molecular_Structure:	['1 . Molar refractive index 13764 ', '2 . Molar volume （m3/mol）4295 ', '3 . Parachor (902K)11390 ', '4 表面张力(dyne/cm)494 ', '5 . Polarizability (10-24cm3)5456']
LogP:	5.00860
FW:	526.08800
More_Info:	['1 . Appearance Solid ', '2 . Density（g/mL25 ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）68-70 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC035mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,）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（正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 Unknow']
PSA:	130.11000
MF:	C25H36ClN3O5S
Exact_Mass:	525.20600