Fmoc-Cys(tBu)-OH

The Fmoc-Cys(tBu)-OH, with the CAS registry number 67436-13-9, is also known as N(alpha)-Fluorenylmethyloxycarbonyl-S-tert-butylcysteine. It belongs to the product categories of Amino Acids; Cysteine [Cys, C]; Fmoc-Amino Acids and Derivatives; Fmoc-Amino Acid Series. This chemical's molecular formula is C₂₂H₂₅NO₄S and molecular weight is 399.5. Its IUPAC name is called 3-tert-butylsulfanyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid. The product should be sealed and stored in cool, dry place at temperature of 2-8 °C. What's more, it should be protected from strong oxides. When you are using this chemical, please be cautious about it. You should not breathe its dust. In addition, you must avoid contacting it with skin and eyes.

Physical properties of Fmoc-Cys(tBu)-OH: (1)ACD/LogP: 5.84; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.46; (4)ACD/LogD (pH 7.4): 2.19; (5)ACD/BCF (pH 5.5): 67.02; (6)ACD/BCF (pH 7.4): 3.66; (7)ACD/KOC (pH 5.5): 148.9; (8)ACD/KOC (pH 7.4): 8.13; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Index of Refraction: 1.599; (13)Molar Refractivity: 110.4 cm³; (14)Molar Volume: 322.7 cm³; (15)Surface Tension: 52 dyne/cm; (16)Density: 1.237 g/cm³; (17)Flash Point: 318.7 °C; (18)Enthalpy of Vaporization: 94.37 kJ/mol; (19)Boiling Point: 603.4 °C at 760 mmHg; (20)Vapour Pressure: 2.08E-15 mmHg at 25°C.

Preparation: this chemical can be prepared by 9H-fluoren-9-ylmethyl chloroformate and S-tert-Butyl-L-cysteine Hydrochloride. This reaction will need reagent sodium carbonate and solvent dioxane, H₂O. The reaction time is 60 min. The yield is about 79%.

Uses of Fmoc-Cys(tBu)-OH: it can be used to produce Fmoc-Cys(Npys)-OH at temperature of 0 °C. This reaction will need solvent CH₂Cl₂ with reaction time of 30 min. The yield is about 80%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)SCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
(2)InChI: InChI=1S/C22H25NO4S/c1-22(2,3)28-13-19(20(24)25)23-21(26)27-12-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,23,26)(H,24,25)
(3)InChIKey: IXAYZHCPEYTWHW-UHFFFAOYSA-N