CAS No.62062-43-5,BOC-BIOCYTIN Suppliers

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Basic Information

Molecular Structure:
CAS No.:	62062-43-5
Name:	BOC-BIOCYTIN
Article Data:	3

Formula:	C₂₁H₃₆N₄O₆S
Molecular Weight:	472.606
Synonyms:	L-Lysine,N2-[(1,1-dimethylethoxy)carbonyl]-N6-[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]-,[3aS-(3aa,4b,6aa)]-;1H-Thieno[3,4-d]imidazole, L-lysine deriv.;
Density:	1.202 g/cm³
Melting Point:	132
Boiling Point:	799.5 °C at 760 mmHg
Flash Point:	437.4 °C
Appearance:	White Solid
PSA:	171.16000
LogP:	3.41600

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Specification

The CAS register number of N-Boc-N'-Biotinyl-L-lysine is 62062-43-5. It also can be called as N-alpha-Boc-biocytin and the systematic name about this chemical is N2-(tert-butoxycarbonyl)-N6-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}-L-lysine. The molecular formula about this chemical is C₂₁H₃₆N₄O₆S and the molecular weight is 472.60. It belongs to the Biotin Derivatives. This chemical can be used as an intermediate in the synthesis of biocytin-containing peptides.

Physical properties about N-Boc-N'-Biotinyl-L-lysine are: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 2; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.84; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 10; (8)#H bond donors: 5; (9)#Freely Rotating Bonds: 14; (10)Polar Surface Area: 125Å²; (11)Index of Refraction: 1.526; (12)Molar Refractivity: 120.76 cm³; (13)Molar Volume: 392.9 cm³; (14)Polarizability: 47.87x10^-24cm³; (15)Surface Tension: 46.1 dyne/cm; (16)Enthalpy of Vaporization: 126.37 kJ/mol; (17)Boiling Point: 799.5 °C at 760 mmHg; (18)Vapour Pressure: 4.53E-28 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N[C@@H]2[C@@H](SC[C@@H]2N1)CCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C21H36N4O6S/c1-21(2,3)31-20(30)24-13(18(27)28)8-6-7-11-22-16(26)10-5-4-9-15-17-14(12-32-15)23-19(29)25-17/h13-15,17H,4-12H2,1-3H3,(H,22,26)(H,24,30)(H,27,28)(H2,23,25,29)/t13-,14-,15-,17-/m0/s1
(3)InChIKey: XTQNFOCBPUXJCS-JKQORVJEBA
(4)Std. InChI: InChI=1S/C21H36N4O6S/c1-21(2,3)31-20(30)24-13(18(27)28)8-6-7-11-22-16(26)10-5-4-9-15-17-14(12-32-15)23-19(29)25-17/h13-15,17H,4-12H2,1-3H3,(H,22,26)(H,24,30)(H,27,28)(H2,23,25,29)/t13-,14-,15-,17-/m0/s1
(5)Std. InChIKey: XTQNFOCBPUXJCS-JKQORVJESA-N