CAS No.16874-81-0,H-HIS-PHE-OH Suppliers

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Basic Information

Molecular Structure:
CAS No.:	16874-81-0
Name:	H-HIS-PHE-OH
Article Data:	3

Formula:	C₁₅H₁₈N₄O₃
Molecular Weight:	302.333
Synonyms:	Alanine,N-L-histidyl-3-phenyl- (7CI);Alanine, N-L-histidyl-3-phenyl-, L- (8CI);Alanine, N-histidyl-3-phenyl- (6CI);L-Phenylalanine, N-L-histidyl-;36: PN:WO2009143133 PAGE: 62 claimed sequence;Histidylphenylalanine;L-Histidyl-L-phenylalanine;
Density:	1.34 g/cm³
Melting Point:	255-258 °C (decomp)
Boiling Point:	693.4 °C at 760 mmHg
Flash Point:	373.1 °C
PSA:	121.10000
LogP:	1.18280

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Specification

The L-Phenylalanine,L-histidyl- is an organic compound with the formula C₁₅H₁₈N₄O₃. The IUPAC name of this chemical is (2S)-2-[[(2S)-2-Amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoic acid. With the CAS registry number 16874-81-0, it is also named as Histidylphenylalanine. The product's categories are Amino Acid Derivatives; Dipeptides; Dipeptides and Tripeptides; Peptides. Besides, it should be stored at −20 °C.

Physical properties about L-Phenylalanine,L-histidyl- are: (1)ACD/LogP: 0.10; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -3.04; (4)ACD/LogD (pH 7.4): -2.59; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 67.67 Å²; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 79.98 cm³; (15)Molar Volume: 225.5 cm³; (16)Polarizability: 31.7×10^-24 cm³; (17)Surface Tension: 67.9 dyne/cm; (18)Density: 1.34 g/cm³; (19)Flash Point: 373.1 °C; (20)Enthalpy of Vaporization: 106.68 kJ/mol; (21)Boiling Point: 693.4 °C at 760 mmHg; (22)Vapour Pressure: 3.5E-20 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C15H18N4O3/c16-12(7-11-8-17-9-18-11)14(20)19-13(15(21)22)6-10-4-2-1-3-5-10/h1-5,8-9,12-13H,6-7,16H2,(H,17,18)(H,19,20)(H,21,22)/t12-,13-/m0/s1
(2)InChIKey: XMAUFHMAAVTODF-STQMWFEEBX
(3)Std. InChI: InChI=1S/C15H18N4O3/c16-12(7-11-8-17-9-18-11)14(20)19-13(15(21)22)6-10-4-2-1-3-5-10/h1-5,8-9,12-13H,6-7,16H2,(H,17,18)(H,19,20)(H,21,22)/t12-,13-/m0/s1
(4)Std. InChIKey: XMAUFHMAAVTODF-STQMWFEESA-N