CAS No.401915-53-5,Fmoc-N-Pbf-L-HomoArginine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	401915-53-5
Name:	Fmoc-N-Pbf-L-HomoArginine

Formula:	C₃₅H₄₂N₄O₇S
Molecular Weight:	662.80
Synonyms:	Fmoc-HomoArg(Pbf)-OH;Fmoc-N-Pbf-L-HomoArginine;N-Fmoc-N'-(2,2,4,6,7-pentamethyldihydrobenzofuran-5-sufonyl)-L-homearginine;
Density:	1.35 g/cm³
Solubility:	Slightly soluble in water.
PSA:	175.29000
LogP:	7.64340

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Specification

The systematic name of Fmoc-N-Pbf-L-HomoArginine is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[[N-[(2,2,4,6,7-pentamethyl-3H-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]hexanoic acid. With the CAS registry number 401915-53-5, it is also named as N-Fmoc-N'-(2,2,4,6,7-pentamethyldihydrobenzofuran-5-sufonyl)-L-homearginine. Besides, it should be stored at 0 °C. In addition, its molecular formula is C₃₅H₄₂N₄O₇S and molecular weight is 662.80.

The other characteristics of Fmoc-N-Pbf-L-HomoArginine can be summarized as: (1)ACD/LogP: 6.79; (2)# of Rule of 5 Violations: 4; (3)ACD/LogD (pH 5.5): 4.8; (4)ACD/LogD (pH 7.4): 3.28; (5)#H bond acceptors: 11; (6)#H bond donors: 5; (7)#Freely Rotating Bonds: 11; (8)Polar Surface Area: 175.29 Å²; (9)Index of Refraction: 1.642; (10)Molar Refractivity: 176.88 cm³; (11)Molar Volume: 489.1 cm³; (12)Polarizability: 70.12×10^-24cm³; (13)Surface Tension: 51.7 dyne/cm; (14)Density: 1.35 g/cm³.

People can use the following data to convert to the molecule structure.
(1)SMILES: OC(=O)[C@@H](NC(=O)OCC3c1ccccc1c2ccccc23)CCCCNC(=N)NS(=O)(=O)c4c(C)c5CC(C)(C)Oc5c(C)c4C
(2)InChI: InChI=1/C35H42N4O7S/c1-20-21(2)31(22(3)27-18-35(4,5)46-30(20)27)47(43,44)39-33(36)37-17-11-10-16-29(32(40)41)38-34(42)45-19-28-25-14-8-6-12-23(25)24-13-7-9-15-26(24)28/h6-9,12-15,28-29H,10-11,16-19H2,1-5H3,(H,38,42)(H,40,41)(H3,36,37,39)/t29-/m0/s1
(3)InChIKey: DOGZBRBJANHMLA-LJAQVGFWBL