CAS No.6154-45-6,BZ-TYR-PNA Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6154-45-6
Name:	BZ-TYR-PNA
Article Data:	1

Formula:	C₂₂H₁₉N₃O₅
Molecular Weight:	405.41
Synonyms:	Benzoyl-L-tyrosinep-nitroanilide;N-Benzoyl-L-tyrosyl p-nitroanilide;Benzenepropanamide,α-(benzoylamino)-4-hydroxy-N-(4-nitrophenyl)-,(S)-;Hydrocinnamanilide, α-benzamido-4-hydroxy-4'-nitro-, L- (8CI);N-Benzoyl-L-tyrosine p-nitroanilide;
Density:	1.373 g/cm³
Boiling Point:	776.8 °C at 760 mmHg
Flash Point:	423.6 °C
Appearance:	WHITE POWDER
PSA:	124.25000
LogP:	4.26730

Total:24 Page 1 of 1 1

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Specification

The Benzoyltyrosine 4-nitroanilide, with the CAS registry number 6154-45-6, is also known as N-Benzoyl-L-tyrosine p-nitroanilide. It belongs to the product categories of Chymotrypsin, Alpha; Chymotrypsin, Alpha Enzyme Substrates; Enzyme Substrates; Protease Substrates; Substrates by Enzyme. This chemical's molecular formula is C₂₂H₁₉N₃O₅ and molecular weight is 405.4. What's more, its IUPAC name is N-[(2S)-3-(4-Hydroxyphenyl)-1-(4-nitroanilino)-1-oxopropan-2-yl]benzamide. Beside, it should be stored at -20 °C.

Physical properties about Benzoyltyrosine 4-nitroanilide are: (1)ACD/LogP: 3.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.81; (4)ACD/LogD (pH 7.4): 3.81; (5)ACD/BCF (pH 5.5): 460.51; (6)ACD/BCF (pH 7.4): 459.05; (7)ACD/KOC (pH 5.5): 2805.07; (8)ACD/KOC (pH 7.4): 2796.22; (9)#H bond acceptors: 8; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 95.67 Å²; (13)Index of Refraction: 1.677; (14)Molar Refractivity: 111.22 cm³; (15)Molar Volume: 295.1 cm³; (16)Polarizability: 44.09×10^-24 cm³; (17)Surface Tension: 65.4 dyne/cm; (18)Density: 1.373 g/cm³; (19)Flash Point: 423.6 °C; (20)Enthalpy of Vaporization: 117.01 kJ/mol; (21)Boiling Point: 776.8 °C at 760 mmHg; (22)Vapour Pressure: 5.09E-25 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(cc1)NC(=O)[C@@H](NC(=O)c2ccccc2)Cc3ccc(O)cc3
(2) InChI: InChI=1/C22H19N3O5/c26-19-12-6-15(7-13-19)14-20(24-21(27)16-4-2-1-3-5-16)22(28)23-17-8-10-18(11-9-17)25(29)30/h1-13,20,26H,14H2,(H,23,28)(H,24,27)/t20-/m0/s1
(3) InChIKey: CJERUMAUMMIPRF-FQEVSTJZBG