Boc-L-2-(5-bromothienyl)alanine

The Boc-L-2-(5-bromothienyl)alanine, with the CAS registry number 190319-95-0, is also known as 3-(5-Bromothiophen-2-yl)-N-(tert-butoxycarbonyl)-L-alanine. It belongs to the product category of Phenylalanine Analogs and Other Aromatic Alpha Amino Acids. This chemical's molecular formula is C₁₂H₁₆BrNO₄S and molecular weight is 350.23. What's more, its IUPAC name is (2S)-3-(5-Bromothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid. However, this chemical should be sealed in the cool and dry place.

Other characteristics of the Boc-L-2-(5-bromothienyl)alanine can be summarised as followings: (1)ACD/LogP: 3.49; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.27; (4)ACD/LogD (pH 7.4): -0.11; (5)ACD/BCF (pH 5.5): 1.59; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 11.34; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 84.08 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 76.53 cm³; (15)Molar Volume: 234.3 cm³; (16)Polarizability: 30.33×10^-24 cm³; (17)Surface Tension: 50 dyne/cm; (18)Density: 1.494 g/cm³; (19)Flash Point: 240.4 °C; (20)Enthalpy of Vaporization: 77.64 kJ/mol; (21)Boiling Point: 473.8 °C at 760 mmHg; (22)Vapour Pressure: 8.76E-10 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing to avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1sc(cc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)O
(2) InChI: InChI=1/C12H16BrNO4S/c1-12(2,3)18-11(17)14-8(10(15)16)6-7-4-5-9(13)19-7/h4-5,8H,6H2,1-3H3,(H,14,17)(H,15,16)/t8-/m0/s1
(3) InChIKey: HHNNFRCLMQFXBA-QMMMGPOBBW