Fmoc-L-beta-homophenylalanine supplier

Name
Fmoc-L-beta-homophenylalanine
EINECS
CAS No. 193954-28-8
Article Data12
CAS DataBase
Density 1.255 g/cm³
Solubility Slightly soluble in water.
Melting Point 110-112 °C(Solv: ethyl acetate (141-78-6); hexane (110-54-3))
Formula C₂₅H₂₃NO₄
Boiling Point 633.217 °C at 760 mmHg
Molecular Weight 401.462
Flash Point 336.758 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzenebutanoicacid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(S)-;(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-phenylbutyric acid;(S)-3-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-4-phenylbutanoic acid;(S)-3-(9H-Fluoren-9-ylmethoxycarbonylamino)-4-phenylbutyric acid;
PSA 75.63000
LogP 5.00200

Fmoc-L-beta-homophenylalanine Specification

The IUPAC name of Fmoc-L-beta-homophenylalanine is (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-phenylbutanoic acid. With the CAS registry number 193954-28-8, it is also named as Benzenebutanoicacid, b-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(S)-. The product's categories are β-Homo Amino Acids; Beta Amino Acids. In addition, its molecular formula is C₂₅H₂₃NO₄ and its molecular weight is 401.45. This chemical is gray powder which should be stored in closed container in a cool, dry warehouse at 2-8 °C.

The other characteristics of Fmoc-L-beta-homophenylalanine can be summarized as: (1)ACD/LogP: 5.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.35; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 591.33; (6)ACD/BCF (pH 7.4): 9.8; (7)ACD/KOC (pH 5.5): 1459.89; (8)ACD/KOC (pH 7.4): 24.19; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.624; (14)Molar Refractivity: 113.03 cm³; (15)Molar Volume: 319.9 cm³; (16)Polarizability: 44.81×10^-24cm³; (17)Surface Tension: 55.7 dyne/cm; (18)Density: 1.254 g/cm³; (19)Flash Point: 336.8 °C; (20)Enthalpy of Vaporization: 98.39 kJ/mol; (21)Boiling Point: 633.2 °C at 760 mmHg; (22)Vapour Pressure: 6.64E-17 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)C[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)Cc4ccccc4
(2)InChI: InChI=1/C25H23NO4/c27-24(28)15-18(14-17-8-2-1-3-9-17)26-25(29)30-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23H,14-16H2,(H,26,29)(H,27,28)/t18-/m0/s1
(3)InChIKey: DQNUGHJJKNFCND-SFHVURJKBU
(4)Std. InChI: InChI=1S/C25H23NO4/c27-24(28)15-18(14-17-8-2-1-3-9-17)26-25(29)30-16-23-21-12-6-4-10-19(21)20-11-5-7-13-22(20)23/h1-13,18,23H,14-16H2,(H,26,29)(H,27,28)/t18-/m0/s1
(5)Std. InChIKey: DQNUGHJJKNFCND-SFHVURJKSA-N

Product Name

Fmoc-L-beta-homophenylalanine

Fmoc-L-beta-homophenylalanine Specification

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