CAS No.5241-60-1,CBZ-ASP(OBZL)-OBZL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	5241-60-1
Name:	CBZ-ASP(OBZL)-OBZL
Article Data:	8

Formula:	C₂₆H₂₅NO₆
Molecular Weight:	447.488
Synonyms:	Asparticacid, N-carboxy-, tribenzyl ester (6CI,7CI);Aspartic acid, N-carboxy-, tribenzylester, L- (8CI);NSC 118539;
Density:	1.234 g/cm³
Boiling Point:	611.7 °C at 760mmHg
Flash Point:	323.7 °C
PSA:	90.93000
LogP:	4.54920

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Specification

The CBZ-ASP(OBZL)-OBZL is an organic compound with the formula C₂₆H₂₅NO₆. The systematic name of this chemical is dibenzyl N-[(benzyloxy)carbonyl]aspartate. With the CAS registry number 5241-60-1, it is also named as 2-(benzyloxycarbonylamino)succinic acid bis(benzyl) ester. In addition, this chemical should be store at 0-5 °C.

The other characteristics of CBZ-ASP(OBZL)-OBZL can be summarized as: (1)ACD/LogP: 6.11; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.11; (4)ACD/LogD (pH 7.4): 6.11; (5)ACD/BCF (pH 5.5): 26061.47; (6)ACD/BCF (pH 7.4): 26035.62; (7)ACD/KOC (pH 5.5): 50414.52; (8)ACD/KOC (pH 7.4): 50364.51; (9)#H bond acceptors: 7; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 13; (12)Polar Surface Area: 82.14 Å²; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 121.45 cm³; (15)Molar Volume: 362.3 cm³; (16)Polarizability: 48.14×10^-24 cm³; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.234 g/cm³; (19)Flash Point: 323.7 °C; (20)Enthalpy of Vaporization: 90.81 kJ/mol; (21)Boiling Point: 611.7 °C at 760 mmHg; (22)Vapour Pressure: 6.7E-15 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OCc1ccccc1)CC(C(=O)OCc2ccccc2)NC(=O)OCc3ccccc3
2. InChI:InChI=1/C26H25NO6/c28-24(31-17-20-10-4-1-5-11-20)16-23(25(29)32-18-21-12-6-2-7-13-21)27-26(30)33-19-22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,27,30)
3. InChIKey:ZPVDKMKHRJFPMC-UHFFFAOYAG
4. Std. InChI:InChI=1S/C26H25NO6/c28-24(31-17-20-10-4-1-5-11-20)16-23(25(29)32-18-21-12-6-2-7-13-21)27-26(30)33-19-22-14-8-3-9-15-22/h1-15,23H,16-19H2,(H,27,30)
5. Std. InChIKey:ZPVDKMKHRJFPMC-UHFFFAOYSA-N