CAS No.122332-18-7,Mivobulin Suppliers

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Basic Information

Molecular Structure:
CAS No.:	122332-18-7
Name:	Mivobulin
Article Data:	2

Formula:	C₁₇H₁₉N₅O₂
Molecular Weight:	325.37
Synonyms:	Carbamicacid, (5-amino-1,2-dihydro-2-methyl-3-phenylpyrido[3,4-b]pyrazin-7-yl)-, ethylester, (S)-;Carbamic acid,[(2S)-5-amino-1,2-dihydro-2-methyl-3-phenylpyrido[3,4-b]pyrazin-7-yl]-, ethylester (9CI);(S)-(-)-NSC 613862;Mivobulin;NSC 613862;
Density:	1.36 g/cm³
Boiling Point:	483 °C at 760 mmHg
Flash Point:	245.9 °C
PSA:	57.61000
LogP:	2.90650

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Specification

The CAS register number of Mivobulin is 122332-18-7. It also can be called as Ethyl N-[(9S)-5-amino-9-methyl-8-phenyl-4,7,10-triazabicyclo[4.4.0] deca-1,3,5,7-tetraen-3-yl]carbamate and the systematic name about this chemical is ethyl [(2S)-5-amino-2-methyl-3-phenyl-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate. The molecular formula about this chemical is C₁₇H₁₉N₅O₂and the molecular weight is 325.37.

Physical properties about Mivobulin are: (1)ACD/LogP: 0.19; (2)ACD/LogD (pH 7.4): 1.17; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 4.19; (5)ACD/KOC (pH 5.5): 4.28; (6)ACD/KOC (pH 7.4): 88.28; (7)#H bond acceptors: 7; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 61.27Å²; (11)Index of Refraction: 1.671; (12)Molar Refractivity: 89.24 cm³; (13)Molar Volume: 238.3 cm³; (14)Polarizability: 35.38x10^-24cm³; (15)Surface Tension: 52.7 dyne/cm; (16)Enthalpy of Vaporization: 74.8 kJ/mol; (17)Boiling Point: 483 °C at 760 mmHg; (18)Vapour Pressure: 1.74E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)Nc2nc(c3\N=C(\c1ccccc1)[C@@H](Nc3c2)C)N
(2)InChI: InChI=1/C17H19N5O2/c1-3-24-17(23)21-13-9-12-15(16(18)20-13)22-14(10(2)19-12)11-7-5-4-6-8-11/h4-10,19H,3H2,1-2H3,(H3,18,20,21,23)/t10-/m0/s1
(3)InChIKey: XXBDOTXPQDVHIP-JTQLQIEIBG
(4)Std. InChI: InChI=1S/C17H19N5O2/c1-3-24-17(23)21-13-9-12-15(16(18)20-13)22-14(10(2)19-12)11-7-5-4-6-8-11/h4-10,19H,3H2,1-2H3,(H3,18,20,21,23)/t10-/m0/s1
(5)Std. InChIKey: XXBDOTXPQDVHIP-JTQLQIEISA-N