Fmoc-L-3-(3-Benzothienyl)alanine supplier

Name
FMOC-L-3-BENZOTHIENYLALANINE
EINECS
CAS No. 177966-60-8
Density 1.356 g/cm³
Solubility
Melting Point
Formula C₂₆H₂₁NO₄S
Boiling Point 690.848 °C at 760 mmHg
Molecular Weight 443.523
Flash Point 371.612 °C
Transport Information
Appearance
Safety 22-24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms Benzo[b]thiophene-3-propanoicacid, a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(S)-;3-(1-benzothiophen-3-yl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine;(2S)-3-(1-Benzothiophen-3-yl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid;3-(1-Benzothiophen-3-yl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine;benzo[b]thiophene-3-propanoic acid, α-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (αS)-;
PSA 103.87000
LogP 5.82660

Fmoc-L-3-(3-Benzothienyl)alanine Specification

The Fmoc-L-3-(3-Benzothienyl)alanine, with the CAS registry number 177966-60-8, has the systematic name of 3-(1-benzothiophen-3-yl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine. And the molecular formula of this chemical is C₂₆H₂₁NO₄S. It belongs to the following product categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Amino Acid Derivatives; α-amino. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes. Besides, it should be stored at 2-8°C.

The physical properties of Fmoc-L-3-(3-Benzothienyl)alanine are as following: (1)ACD/LogP: 7.57; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.4; (4)ACD/LogD (pH 7.4): 3.99; (5)ACD/BCF (pH 5.5): 2276.74; (6)ACD/BCF (pH 7.4): 87.16; (7)ACD/KOC (pH 5.5): 2136.72; (8)ACD/KOC (pH 7.4): 81.8; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 84.08 Å²; (13)Index of Refraction: 1.687; (14)Molar Refractivity: 124.62 cm³; (15)Molar Volume: 327 cm³; (16)Polarizability: 49.4×10^-24cm³; (17)Surface Tension: 62.9 dyne/cm; (18)Density: 1.356 g/cm³; (19)Flash Point: 371.6 °C; (20)Enthalpy of Vaporization: 106.33 kJ/mol; (21)Boiling Point: 690.8 °C at 760 mmHg; (22)Vapour Pressure: 4.88E-20 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2ccccc23)Cc4c5ccccc5sc4
(2)InChI: InChI=1/C26H21NO4S/c28-25(29)23(13-16-15-32-24-12-6-5-7-17(16)24)27-26(30)31-14-22-20-10-3-1-8-18(20)19-9-2-4-11-21(19)22/h1-12,15,22-23H,13-14H2,(H,27,30)(H,28,29)/t23-/m0/s1
(3)InChIKey: BQIZNDWONIMCGM-QHCPKHFHBY

Product Name

FMOC-L-3-BENZOTHIENYLALANINE

Fmoc-L-3-(3-Benzothienyl)alanine Specification

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