Ro 4929097 supplier | CasNO.847925-91-1

Name
RO4929097
EINECS
CAS No. 847925-91-1
Density 1.407 g/cm³
Solubility
Melting Point
Formula C₂₂H₂₀F₅N₃O₃
Boiling Point 696.312 °C at 760 mmHg
Molecular Weight 469.411
Flash Point 374.916 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,2-Dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide;Propanediamide, N1-[(7S)-6,7-dihydro-6-oxo-5H-dibenz[b,d]azepin-7-yl]-2,2-dimethyl-N3-(2,2,3,3,3-pentafluoropropyl)-;
PSA 97.77000
LogP 5.56870

Ro 4929097 Specification

The Ro 4929097, with the CAS registry number 847925-91-1, is also known as Propanediamide, N1-[(7S)-6,7-dihydro-6-oxo-5H-dibenz[b,d]azepin-7-yl]-2,2-dimethyl-N3-(2,2,3,3,3-pentafluoropropyl)-. This chemical's molecular formula is C₂₂H₂₀F₅N₃O₃ and molecular weight is 469.40. What's more, its systematic name is 2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide.

Physical properties of Ro 4929097 are: (1)ACD/LogP: 3.425; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.43; (4)ACD/LogD (pH 7.4): 3.43; (5)ACD/BCF (pH 5.5): 236.05; (6)ACD/BCF (pH 7.4): 236.04; (7)ACD/KOC (pH 5.5): 1738.60; (8)ACD/KOC (pH 7.4): 1738.55; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 87.3 Å²; (13)Index of Refraction: 1.558; (14)Molar Refractivity: 107.614 cm³; (15)Molar Volume: 333.626 cm³; (16)Polarizability: 42.662×10^-24cm³; (17)Surface Tension: 47.941 dyne/cm; (18)Density: 1.407 g/cm³; (19)Flash Point: 374.916 °C; (20)Enthalpy of Vaporization: 101.977 kJ/mol; (21)Boiling Point: 696.312 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C(=O)NCC(C(F)(F)F)(F)F)C(=O)N[C@H]1c2ccccc2-c3ccccc3NC1=O
(2)Std. InChI: InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1
(3)Std. InChIKey: OJPLJFIFUQPSJR-INIZCTEOSA-N

Product Name

RO4929097

Ro 4929097 Specification

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