Fmoc-(S)-3-Amino-4-(2-thienyl)-butyric acid supplier

Name
Fmoc-(S)-3-Amino-4-(2-thienyl)-butyric acid
EINECS
CAS No. 270262-98-1
Density 1.316 g/cm³
Solubility
Melting Point
Formula C₂₃H₂₁NO₄S
Boiling Point 636.1 °C at 760 mmHg
Molecular Weight 407.4821
Flash Point 338.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Thiophenebutanoicacid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(betaS)-;(3S)-3-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}-4-thiophen-2-ylbutanoic acid;
PSA 117.86000
LogP 4.68970

Fmoc-(S)-3-Amino-4-(2-thienyl)-butyric acid Specification

The Fmoc-(S)-3-Amino-4-(2-thienyl)-butyric acid, with the CAS registry number 270262-98-1, is also known as 2-Thiophenebutanoicacid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(betaS)-. It belongs to the product category of B-Amino. This chemical's molecular formula is C₂₃H₂₁NO₄S and molecular weight is 407.48. What's more, its systematic name is (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-thiophen-2-ylbutanoic acid. It is irritant.

Physical properties of Fmoc-(S)-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-/m1/s1
(3)InChIKey: BESSJJJDKGERSD-OAHLLOKOSA-N

Product Name

Fmoc-(S)-3-Amino-4-(2-thienyl)-butyric acid

Fmoc-(S)-3-Amino-4-(2-thienyl)-butyric acid Specification

Related Products

Hot Products