Boc-O-(2-bromo-Cbz)-L-Tyrosine supplier

Name
Boc-O-(2-bromo-Cbz)-L-Tyrosine
EINECS
CAS No. 47689-67-8
Article Data2
CAS DataBase
Density 1.414 g/cm³
Solubility
Melting Point 112-115 °C
Formula C₂₂H₂₄BrNO₇
Boiling Point 634.9 °C at 760 mmHg
Molecular Weight 494.339
Flash Point 337.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms L-Tyrosine,N-[(1,1-dimethylethoxy)carbonyl]-, (2-bromophenyl)methyl carbonate (ester)(9CI);N-(tert-Butoxycarbonyl)-O-(2-bromobenzyloxycarbonyl)-L-tyrosine;O-{[(2-bromobenzyl)oxy]carbonyl}-N-(tert-butoxycarbonyl)-D-tyrosine;(2R)-3-[4-[(2-bromophenyl)methoxycarbonyloxy]phenyl]-2-[(2-methylpropan-;
PSA 111.16000
LogP 5.07600

Boc-O-(2-bromo-Cbz)-L-Tyrosine Specification

The Boc-O-(2-bromo-Cbz)-L-Tyrosine, with the CAS registry number 47689-67-8, has the systematic name of O-{[(2-bromobenzyl)oxy]carbonyl}-N-(tert-butoxycarbonyl)-D-tyrosine. It belongs to the following product categories: Amino Acid Derivatives; Amino Acids; Boc-Amino Acids and Derivative; Boc-Amino acid series, and should be stored at the 2-8°C in the sealed containers. The molecular formula of the chemical is C₂₂H₂₄BrNO₇.

The characteristics of Boc-O-(2-bromo-Cbz)-L-Tyrosine are as followings: (1)ACD/LogP: 4.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.68; (4)ACD/LogD (pH 7.4): 1.22; (5)ACD/BCF (pH 5.5): 19.82; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 74.19; (8)ACD/KOC (pH 7.4): 2.62; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 91.37 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 115.72 cm³; (15)Molar Volume: 349.5 cm³; (16)Polarizability: 45.87×10^-24cm³; (17)Surface Tension: 50.8 dyne/cm; (18)Density: 1.414 g/cm³; (19)Flash Point: 337.8 °C; (20)Enthalpy of Vaporization: 98.62 kJ/mol; (21)Boiling Point: 634.9 °C at 760 mmHg; (22)Vapour Pressure: 5.41E-17 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1ccccc1COC(=O)Oc2ccc(cc2)C[C@H](C(=O)O)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C22H24BrNO7/c1-22(2,3)31-20(27)24-18(19(25)26)12-14-8-10-16(11-9-14)30-21(28)29-13-15-6-4-5-7-17(15)23/h4-11,18H,12-13H2,1-3H3,(H,24,27)(H,25,26)/t18-/m1/s1
(3)InChIKey: UYWMYJQSTUVRHR-GOSISDBHBZ

Product Name

Boc-O-(2-bromo-Cbz)-L-Tyrosine

Boc-O-(2-bromo-Cbz)-L-Tyrosine Specification

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