CAS No.309913-83-5,talmapimod Suppliers

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Basic Information

Molecular Structure:
CAS No.:	309913-83-5
Name:	talmapimod

Formula:	C₂₇H₃₀ClFN₄O₃
Molecular Weight:	513.012
Synonyms:	SCIO469;Scios 469;Talmapimod;
Density:	1.297 g/cm³
Boiling Point:	657.971 °C at 760 mmHg
Flash Point:	351.729 °C
PSA:	65.86000
LogP:	3.85250

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Specification

The cas register number of Talmapimod is 309913-83-5. It also can be called as 6-Chloro-5-[[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethyl-1-piperazinyl]carbonyl]-N,N,1-trimethyl-alpha-oxo-1H-indole-3-acetamide and the IUPAC Name about this chemical is 2-[6-chloro-5-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazine-1-carbonyl]-1-methylindol-3-yl]-N,N-dimethyl-2-oxoacetamide. Classification Code about this chemical is Immunomodulator.

Physical properties about Talmapimod are: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 28; (7)ACD/KOC (pH 5.5): 13; (8)ACD/KOC (pH 7.4): 289; (9)#H bond acceptors: 7; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 65.86Å²; (12)Index of Refraction: 1.619; (13)Molar Refractivity: 138.712 cm³; (14)Molar Volume: 395.505 cm³; (15)Polarizability: 54.99x10^-24cm³; (16)Surface Tension: 44.688 dyne/cm; (17)Enthalpy of Vaporization: 96.86 kJ/mol.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N(C)C)C(=O)c2c1cc(c(Cl)cc1n(c2)C)C(=O)N4C[C@@H](N(Cc3ccc(F)cc3)C[C@H]4C)C
(2)InChI: InChI=1/C27H30ClFN4O3/c1-16-13-33(17(2)12-32(16)14-18-6-8-19(29)9-7-18)26(35)21-10-20-22(25(34)27(36)30(3)4)15-31(5)24(20)11-23(21)28/h6-11,15-17H,12-14H2,1-5H3/t16-,17+/m0/s1
(3)InChIKey: ZMELOYOKMZBMRB-DLBZAZTEBE
(4)Std. InChI: InChI=1S/C27H30ClFN4O3/c1-16-13-33(17(2)12-32(16)14-18-6-8-19(29)9-7-18)26(35)21-10-20-22(25(34)27(36)30(3)4)15-31(5)24(20)11-23(21)28/h6-11,15-17H,12-14H2,1-5H3/t16-,17+/m0/s1
(5)Std. InChIKey: ZMELOYOKMZBMRB-DLBZAZTESA-N