Basic Information | Post buying leads | Suppliers |
Name |
Fmoc-(R)-3-Amino-4-(2-thienyl)-butyric acid |
EINECS | N/A |
CAS No. | 269726-90-1 | Density | 1.316 g/cm3 |
PSA | 103.87000 | LogP | 5.06350 |
Solubility | N/A | Melting Point |
N/A |
Formula | C23H21NO4S | Boiling Point | 636.1 °C at 760 mmHg |
Molecular Weight | 407.48 | Flash Point | 338.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(thien-2-yl)butyric acid;2-Thiophenebutanoicacid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(betaR)-; |
The Fmoc-(R)-3-Amino-4-(2-thienyl)-butyric acid, with the CAS registry number 269726-90-1, is also known as 2-Thiophenebutanoicacid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(betaR)-. It belongs to the product categories of 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C23H21NO4S and molecular weight is 407.48. What's more, its systematic name is (3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-thiophen-2-ylbutanoic acid. It is irritant.
Physical properties of Fmoc-(R)-3-Amino-4-(2-thienyl)-butyric acid are: (1)ACD/LogP: 5.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.98; (4)ACD/LogD (pH 7.4): 2.21; (5)ACD/BCF (pH 5.5): 302.94; (6)ACD/BCF (pH 7.4): 5.11; (7)ACD/KOC (pH 5.5): 877.82; (8)ACD/KOC (pH 7.4): 14.8; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 84.08 Å2; (13)Index of Refraction: 1.639; (14)Molar Refractivity: 111.41 cm3; (15)Molar Volume: 309.4 cm3; (16)Surface Tension: 58.9 dyne/cm; (17)Density: 1.316 g/cm3; (18)Flash Point: 338.5 °C; (19)Enthalpy of Vaporization: 98.79 kJ/mol; (20)Boiling Point: 636.1 °C at 760 mmHg; (21)Vapour Pressure: 4.69E-17 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@@H](NC(=O)OCC3c1ccccc1c2ccccc23)Cc4sccc4
(2)InChI: InChI=1S/C23H21NO4S/c25-22(26)13-15(12-16-6-5-11-29-16)24-23(27)28-14-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-11,15,21H,12-14H2,(H,24,27)(H,25,26)/t15-/m0/s1
(3)InChIKey: BESSJJJDKGERSD-HNNXBMFYSA-N