Fmoc-(R)-3-Amino-4-(3-thienyl)-butyric acid supplier

Name
Fmoc-(R)-3-Amino-4-(3-thienyl)-butyric acid
EINECS
CAS No. 269726-93-4
Density 1.316 g/cm³
Solubility
Melting Point
Formula C₂₃H₂₁NO₄S
Boiling Point 639 °C at 760 mmHg
Molecular Weight 407.48
Flash Point 340.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (R)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(thien-3-yl)butyricacid;3-Thiophenebutanoicacid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(betaR)-;
PSA 103.87000
LogP 5.06350

Fmoc-(R)-3-Amino-4-(3-thienyl)-butyric acid Specification

The Fmoc-(R)-3-Amino-4-(3-thienyl)-butyric acid, with the CAS registry number 269726-93-4, is also known as 3-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-3-ylbutanoic acid. It is irritant.

Physical properties of Fmoc-(R)-3-Amino-4-(3-thienyl)-butyric acid are: (1)ACD/LogP: 5.30; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.04; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 346.86; (6)ACD/BCF (pH 7.4): 5.72; (7)ACD/KOC (pH 5.5): 1005.06; (8)ACD/KOC (pH 7.4): 16.58; (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: 340.2 °C; (19)Enthalpy of Vaporization: 99.17 kJ/mol; (20)Boiling Point: 639 °C at 760 mmHg; (21)Vapour Pressure: 3.34E-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)Cc4ccsc4
(2)InChI: InChI=1S/C23H21NO4S/c25-22(26)12-16(11-15-9-10-29-14-15)24-23(27)28-13-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-10,14,16,21H,11-13H2,(H,24,27)(H,25,26)/t16-/m1/s1
(3)InChIKey: LLLVDBJEAPYRRR-MRXNPFEDSA-N

Product Name

Fmoc-(R)-3-Amino-4-(3-thienyl)-butyric acid

Fmoc-(R)-3-Amino-4-(3-thienyl)-butyric acid Specification

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