CAS No.288617-77-6,(R)-2-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-2-METHYL-HEPT-6-ENOIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	288617-77-6
Name:	(R)-2-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-2-METHYL-HEPT-6-ENOIC ACID
Article Data:	10

Formula:	C₂₃H₂₅NO₄
Molecular Weight:	379.45
Synonyms:	(R)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-2-methylhept-6-enoic acid;6-heptenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-, (2R)-;(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-methylhept-6-enoic acid;(R)-N-Fmoc-2-(4'-pentenyl)alanine;
Density:	1.186 g/cm³
Boiling Point:	591.736 °C at 760 mmHg
Flash Point:	311.671 °C
Hazard Symbols:	N
Risk Codes:	50
Safety:	61
PSA:	75.63000
LogP:	5.11560

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Specification

The (2R)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-6-heptenoic acid, with the CAS registry number 288617-77-6, is also called 6-heptenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-, (2R)-. And the molecular formula of the chemical is C₂₃H₂₅NO₄.

The characteristics of (2R)-2-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-6-heptenoic acid are as followings: (1)ACD/LogP: 5.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.599; (4)ACD/LogD (pH 7.4): 2.034; (5)ACD/BCF (pH 5.5): 110.955; (6)ACD/BCF (pH 7.4): 3.024; (7)ACD/KOC (pH 5.5): 288.811; (8)ACD/KOC (pH 7.4): 7.87; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 75.63 Å²; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 106.811 cm³; (15)Molar Volume: 320.024 cm³; (16)Polarizability: 42.343×10^-24cm³; (17)Surface Tension: 49.241 dyne/cm; (18)Density: 1.186 g/cm³; (19)Flash Point: 311.671 °C; (20)Enthalpy of Vaporization: 92.822 kJ/mol; (21)Boiling Point: 591.736 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C[C@@](CCCC=C)(C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3
(2)InChI: InChI=1/C23H25NO4/c1-3-4-9-14-23(2,21(25)26)24-22(27)28-15-20-18-12-7-5-10-16(18)17-11-6-8-13-19(17)20/h3,5-8,10-13,20H,1,4,9,14-15H2,2H3,(H,24,27)(H,25,26)/t23-/m1/s1
(3)InChIKey: MRJFPZWLOJOINV-HSZRJFAPBR