Basic Information | Post buying leads | Suppliers |
Name |
Fmoc-(R)-3-Amino-4-(3-benzothienyl)-butyric acid |
EINECS | N/A |
CAS No. | 269396-51-2 | Density | 1.331 g/cm3 |
PSA | 103.87000 | LogP | 6.21670 |
Solubility | N/A | Melting Point |
N/A |
Formula | C27H23NO4S | Boiling Point | 702.4 °C at 760 mmHg |
Molecular Weight | 457.54 | Flash Point | 378.6 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(R)-4-(Benzo[b]thien-3-yl)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butyricacid;Benzo[b]thiophene-3-butanoicacid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(betaR)-; |
The Fmoc-(R)-3-Amino-4-(3-benzothienyl)-butyric acid, with the CAS registry number 269396-51-2, is also known as Benzo[b]thiophene-3-butanoicacid, 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 C27H23NO4S and molecular weight is 457.54. What's more, its systematic name is (3R)-4-(1-benzothiophen-3-yl)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid. It is irritant.
Physical properties of Fmoc-(R)-3-Amino-4-(3-benzothienyl)-butyric acid are: (1)ACD/LogP: 7.78; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.53; (4)ACD/LogD (pH 7.4): 4.74; (5)ACD/BCF (pH 5.5): 26777.04; (6)ACD/BCF (pH 7.4): 441.62; (7)ACD/KOC (pH 5.5): 22559.16; (8)ACD/KOC (pH 7.4): 372.06; (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: 1.676; (14)Molar Refractivity: 129.26 cm3; (15)Molar Volume: 343.5 cm3; (16)Surface Tension: 61.2 dyne/cm; (17)Density: 1.331 g/cm3; (18)Flash Point: 378.6 °C; (19)Enthalpy of Vaporization: 107.94 kJ/mol; (20)Boiling Point: 702.4 °C at 760 mmHg; (21)Vapour Pressure: 1.04E-20 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)Cc4c5ccccc5sc4
(2)InChI: InChI=1S/C27H23NO4S/c29-26(30)14-18(13-17-16-33-25-12-6-5-7-19(17)25)28-27(31)32-15-24-22-10-3-1-8-20(22)21-9-2-4-11-23(21)24/h1-12,16,18,24H,13-15H2,(H,28,31)(H,29,30)/t18-/m1/s1
(3)InChIKey: AOUNLYYDVNQRKT-GOSISDBHSA-N