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CAS No.: | 205528-33-2 |
---|---|
Name: | FMOC-D-4-THIAZOLYLALANINE |
Molecular Structure: | |
Formula: | C21H18N2O4S |
Molecular Weight: | 394.451 |
Synonyms: | 4-Thiazolepropanoicacid, a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(R)-;N-(9-Fluorenylmethoxycarbonyl)-3-(4-thiazoyl)-D-alanine; |
Density: | 1.378 g/cm3 |
Melting Point: | 180.2 °C |
Boiling Point: | 647.5 °C at 760 mmHg |
Flash Point: | 345.4 °C |
Appearance: | white to off-white powder |
Hazard Symbols: | Xi |
Safety: | 24/25 |
PSA: | 116.76000 |
LogP: | 4.06840 |
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The CAS register number of 4-Thiazolepropanoicacid, a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(aR)- is 205528-33-2. It also can be called as Fmoc-D-4-Thiazolylalanine and the systematic name about this chemical is N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-(1,3-thiazol-4-yl)-D-alanine. The molecular formula about this chemical is C21H18N2O4S and the molecular weight is 394.44. It belongs to the following product categories which include Phenylalanine Analogs and other Aromatic Alpha Amino Acids; Fluorenes, Flurenones; Amino Acid Derivatives; A-amino and so on. When you are using it, please avoid contact with skin and eyes.
Physical properties about 4-Thiazolepropanoicacid, a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(aR)- are: (1)ACD/LogP: 3.63; (2)ACD/LogD (pH 5.5): 1.22; (3)ACD/LogD (pH 7.4): -0.02; (4)ACD/BCF (pH 5.5): 1.33; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.84; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 96.97Å2; (12)Index of Refraction: 1.654; (13)Molar Refractivity: 104.87 cm3; (14)Molar Volume: 286.1 cm3; (15)Polarizability: 41.57x10-24cm3; (16)Surface Tension: 64.7 dyne/cm; (17)Flash Point: 345.4 °C; (18)Enthalpy of Vaporization: 100.34 kJ/mol; (19)Boiling Point: 647.5 °C at 760 mmHg; (20)Vapour Pressure: 1.19E-17 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](NC(=O)OCC3c1ccccc1c2ccccc23)Cc4ncsc4
(2)InChI: InChI=1/C21H18N2O4S/c24-20(25)19(9-13-11-28-12-22-13)23-21(26)27-10-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,11-12,18-19H,9-10H2,(H,23,26)(H,24,25)/t19-/m1/s1
(3)InChIKey: LSBAZFASKHLHKB-LJQANCHMBG
(4)Std. InChI: InChI=1S/C21H18N2O4S/c24-20(25)19(9-13-11-28-12-22-13)23-21(26)27-10-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-8,11-12,18-19H,9-10H2,(H,23,26)(H,24,25)/t19-/m1/s1
(5)Std. InChIKey: LSBAZFASKHLHKB-LJQANCHMSA-N