FMOC-L-2-(5-BROMOTHIENYL)ALANINE

The 2-Thiophenepropanoicacid, 5-bromo-a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (aS)-, with the CAS registry number of 220497-50-7, is also known as N-(9-Fluorenylmethoxycarbonyl)-5-bromo-2-thienyl-L-alanine. It belongs to the product categories of Phenylalanine Analogs and other Aromatic alpha Amino Acids. This chemical's molecular formula is C₂₂H₁₈BrNO₄S and molecular weight is 472.35. What's more, its IUPAC name is (2S)-3-(5-Bromothiophen-2-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid. In addition, it must be stored in airtight containers and placed in a dry, cool place at the temperature of 0-6 °C. When you are using this chemical, please be cautious to avoid contact with skin and eyes.

Physical properties about 2-Thiophenepropanoicacid, 5-bromo-a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (aS)- are: (1)ACD/LogP: 5.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.64; (4)ACD/LogD (pH 7.4): 2.32; (5)ACD/BCF (pH 5.5): 96.74; (6)ACD/BCF (pH 7.4): 4.58; (7)ACD/KOC (pH 5.5): 204.43; (8)ACD/KOC (pH 7.4): 9.67; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 84.08 Å²; (13)Index of Refraction: 1.662; (14)Molar Refractivity: 114.47 cm³; (15)Molar Volume: 309 cm³; (16)Polarizability: 45.38×10^-24 cm³; (17)Surface Tension: 62.1 dyne/cm; (18)Density: 1.528 g/cm³; (19)Flash Point: 351.7 °C; (20)Enthalpy of Vaporization: 101.77 kJ/mol; (21)Boiling Point: 657.9 °C at 760 mmHg; (22)Vapour Pressure: 3.31E-18 mmHg at 25 °C.

You can still convert the following data into molecular structure:
(1) SMILES: Brc1sc(cc1)C[C@H](NC(=O)OCC4c2ccccc2c3ccccc34)C(=O)O
(2) InChI: InChI=1/C22H18BrNO4S/c23-20-10-9-13(29-20)11-19(21(25)26)24-22(27)28-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-10,18-19H,11-12H2,(H,24,27)(H,25,26)/t19-/m0/s1
(3) InChIKey: ABNLVFDGUSJGFG-IBGZPJMEBU