CAS No.152436-04-9,FMOC-D-4-METHOXYPHE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	152436-04-9
Name:	FMOC-D-4-METHOXYPHE
Article Data:	2

Formula:	C₂₅H₂₃NO₅
Molecular Weight:	401.462
Synonyms:	Fmoc-D-4-Methoxyphe;
Density:	1.256 g/cm³
Boiling Point:	621.214 °C at 760 mmHg
Flash Point:	329.498 °C
Risk Codes:	36/37/38-40-67
Safety:	23-24/25-36/37
PSA:	75.63000
LogP:	5.00200

Total:37 Page 1 of 1 1

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Specification

The systematic name of Fmoc-D-4-Methoxyphe is N-[(9H-fluoren-9-ylmethoxy)carbonyl]-α-methyl-D-phenylalanine. With the CAS registry number , it is also named as (R)-N-Fmoc-α-Methylphenylalanine. The product's category is Unusual Amino Acids. Besides, it should be stored at -15 °C. In addition, its molecular formula is C₂₅H₂₃NO₅ and molecular weight is 417.45.

The other characteristics of Fmoc-D-4-Methoxyphe can be summarized as: (1)ACD/LogP: 5.76; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.68; (4)ACD/LogD (pH 7.4): 2.21; (5)ACD/BCF (pH 5.5): 117.71; (6)ACD/BCF (pH 7.4): 3.94; (7)ACD/KOC (pH 5.5): 272.07; (8)ACD/KOC (pH 7.4): 9.11; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 113.04 cm³; (15)Molar Volume: 319.6 cm³; (16)Polarizability: 44.81×10^-24cm³; (17)Surface Tension: 55.3 dyne/cm; (18)Density: 1.256 g/cm³; (19)Flash Point: 329.5 °C; (20)Enthalpy of Vaporization: 96.77 kJ/mol; (21)Boiling Point: 621.2 °C at 760 mmHg; (22)Vapour Pressure: 2.71E-16 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@@](NC(=O)OCC3c1ccccc1c2c3cccc2)(C)Cc4ccccc4
(2)InChI: InChI=1/C25H23NO4/c1-25(23(27)28,15-17-9-3-2-4-10-17)26-24(29)30-16-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h2-14,22H,15-16H2,1H3,(H,26,29)(H,27,28)/t25-/m1/s1
(3)InChIKey: KLBKBAAOPOXFSK-RUZDIDTEBZ
(4)Std. InChI: InChI=1S/C25H23NO4/c1-25(23(27)28,15-17-9-3-2-4-10-17)26-24(29)30-16-22-20-13-7-5-11-18(20)19-12-6-8-14-21(19)22/h2-14,22H,15-16H2,1H3,(H,26,29)(H,27,28)/t25-/m1/s
(5)Std. InChIKey: KLBKBAAOPOXFSK-RUZDIDTESA-N