CAS No.130309-35-2,(S)-N-FMOC-2-Thienylalanine Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	130309-35-2
Name:	(S)-N-FMOC-2-Thienylalanine
Article Data:	2

Formula:	C₂₂H₁₉NO₄S
Molecular Weight:	393.463
Synonyms:	2-Thiophenepropanoicacid, a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(S)-;N-(9-Fluorenylmethoxycarbonyl)-2-thienyl-L-alanine;
Density:	1.343 g/cm³
Melting Point:	218.5 °C
Boiling Point:	623.4 °C at 760 mmHg
Flash Point:	330.8 °C
Appearance:	off-white to light beige crystalline powder
Hazard Symbols:	Xi
Safety:	24/25
PSA:	103.87000
LogP:	4.67340

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Specification

The IUPAC name of (S)-N-Fmoc-2-Thienylalanine is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-2-ylpropanoic acid. With the CAS registry number 130309-35-2, it is also named as N-(9-Fluorenylmethoxycarbonyl)-2-thienyl-L-alanine. The product's categories are Amino Acids; Phenylalanine Analogs and other Aromatic Alpha Amino Acids; A-amino. Besides, it is off-white to light beige crystalline powder , which should be sealed in a greenhouse. When you are using this chemical, please avoid contact with skin and eyes. In addition, its molecular formula is C₂₂H₁₉NO₄S and molecular weight is 393.45.

The other characteristics of (S)-N-Fmoc-2-Thienylalanine can be summarized as: (1)ACD/LogP: 5.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.08; (4)ACD/LogD (pH 7.4): 1.64; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 6; (8)Polar Surface Area: 103.87 Å²; (9)Index of Refraction: 1.645; (10)Molar Refractivity: 106.39 cm³; (11)Molar Volume: 293.3 cm³; (12)Polarizability: 42.17×10^-24cm³; (13)Surface Tension: 58.6 dyne/cm; (14)Density: 1.341 g/cm³; (15)Flash Point: 327.1 °C; (16)Melting point: 218.5 °C; (17)Enthalpy of Vaporization: 96.24 kJ/mol; (18)Boiling Point: 617.3 °C at 760 mmHg; (19)Vapour Pressure: 4.26E-16 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(N[C@](C)(c1cccs1)C(O)=O)OCC4c2ccccc2c3ccccc34
(2)InChI: InChI=1/C22H19NO4S/c1-22(20(24)25,19-11-6-12-28-19)23-21(26)27-13-18-16-9-4-2-7-14(16)15-8-3-5-10-17(15)18/h2-12,18H,13H2,1H3,(H,23,26)(H,24,25)/t22-/m1/s1
(3)InChIKey: OGTNDDJRDTVCIO-JOCHJYFZBG
(4)Std. InChI: InChI=1S/C22H19NO4S/c1-22(20(24)25,19-11-6-12-28-19)23-21(26)27-13-18-16-9-4-2-7-14(16)15-8-3-5-10-17(15)18/h2-12,18H,13H2,1H3,(H,23,26)(H,24,25)/t22-/m1/s1
(5)Std. InChIKey: OGTNDDJRDTVCIO-JOCHJYFZSA-N