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220497-50-7

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Basic Information
CAS No.: 220497-50-7
Name: FMOC-L-2-(5-BROMOTHIENYL)ALANINE
Molecular Structure:
Molecular Structure of 220497-50-7 (FMOC-L-2-(5-BROMOTHIENYL)ALANINE)
Formula: C22H18BrNO4S
Molecular Weight: 472.359
Synonyms: N-(9-Fluorenylmethoxycarbonyl)-5-bromo-2-thienyl-L-alanine;
Density: 1.528 g/cm3
Melting Point: 150.4 °C
Boiling Point: 657.9 °C at 760 mmHg
Flash Point: 351.7 °C
Appearance: white to off-white crystalline powder
Safety: 24/25
PSA: 103.87000
LogP: 5.43590
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Specification

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