3-Methyl-2-[pentanoyl-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]amino]-butanoic acid

Catalog No: FT-0631156

CAS No: 137862-53-4

Molecular Formula: 435.5
Formula Weight: C24H29N5O3
Inchl Key: ACWBQPMHZXGDFX-QFIPXVFZSA-N
Inchl: InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)/t22-/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

Refractive_Index:	1.587
Vapor_Pressure:	0.0±2.2 mmHg at 25°C
Flash_Point:	368.0±34.3 °C
LogP:	4.75
Bolling_Point:	684.9±65.0 °C at 760 mmHg
FW:	435.519
PSA:	112.07000
Computational_Chemistry:	['1. XlogP :44 ', '2. Hydrogen Bond Donor Count :2 ', '3. Hydrogen Bond Acceptor Count :6 ', '4. Rotatable Bond Count :10 ', '5. Isotope Atom Count :2 ', '6. TPSA 112 ', '7. Heavy Atom Count :32 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :608 ', '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:	116-117°C
MF:	C24H29N5O3
Exact_Mass:	435.227051
Molecular_Structure:	['1 . Molar refractive index 12062 ', '2 . Molar volume 3591 ', '3 . Parachor （902K）9780 ', '4 . Surface tension 550 ', '5 . Polarizability 4781']
Density:	1.2±0.1 g/cm3
More_Info:	['1. Appearance 从二异丙醚结晶。 ', '2. Melting point（℃）116--117。']