Chemical Name: MK-571
Molecular Formula: C26H27ClN2O3S2
Molecular Weight: 515.1
InChI Key: AXUZQJFHDNNPFG-UXBLZVDNSA-N
InChI: InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+

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

Molecular_Structure:	['1. Molar refractive index 14776 ', '2. Molar volume 3879 ', '3. Parachor （902K）10834 ', '4. Surface tension 608 ', '5. Dielectric constant N/A ', '6. Polarizability 5857 ', '7. Single isotope mass 51411516 Da ', '8. Nominal mass 514 Da ', '9. Average mass 5150872 Da']
LogP:	5.93
Flash_Point:	384.6±32.9 °C
Refractive_Index:	1.687
FW:	515.087
Density:	1.3±0.1 g/cm3
Bolling_Point:	712.3±60.0 °C at 760 mmHg
Computational_Chemistry:	['1 . XlogP 53 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 11 ', '5 . Isotope Atom Count ', '6 . TPSA 705 ', '7 . Heavy Atom Count 34 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 693 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 0 ', '12. Undefined Atom Stereocenter Count 1 ', '13. Defined Bond Stereocenter Count 1 ', '14. Undefined Bond Stereocenter Count 0 ', '15. Covalently-Bonded Unit Count 1']
PSA:	121.10000
Exact_Mass:	514.115173
Vapor_Pressure:	0.0±2.4 mmHg at 25°C
MF:	C26H27ClN2O3S2