PH 797804 supplier | CasNO.586379-66-0

Name
PH 797804
EINECS
CAS No. 586379-66-0
Density 1.51 g/cm³
Solubility
Melting Point
Formula C₂₂H₁₉BrF₂N₂O₃
Boiling Point 593.206 °C at 760 mmHg
Molecular Weight 477.305
Flash Point 312.56 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Bromo-4-[(2,4-difluorobenzyl)oxy]-1-[5-[(methylamino)carbonyl]-2-met
PSA 60.33000
LogP 4.82450

PH 797804 Specification

This chemical is called Benzamide, 3-(3-bromo-4-((2,4-difluorophenyl)methoxy)-6-methyl-2-oxo-1(2H)-pyridinyl)-N,4-dimethyl-, and it's also named as PH 797804. With the molecular formula of C₂₂H₁₉BrF₂N₂O₃, its molecular weight is 477.30. The CAS registry number of this chemical is 586379-66-0.

Other characteristics of the Benzamide, 3-(3-bromo-4-((2,4-difluorophenyl)methoxy)-6-methyl-2-oxo-1(2H)-pyridinyl)-N,4-dimethyl- can be summarised as followings: (1)ACD/LogP: 2.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 171; (6)ACD/BCF (pH 7.4): 171; (7)ACD/KOC (pH 5.5): 1379; (8)ACD/KOC (pH 7.4): 1379; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 58.64 Å²; (13)Index of Refraction: 1.629; (14)Molar Refractivity: 112.307 cm³; (15)Molar Volume: 316.07 cm³; (16)Polarizability: 44.522×10^-24cm³; (17)Surface Tension: 55.297 dyne/cm; (18)Density: 1.51 g/cm³; (19)Flash Point: 312.56 °C; (20)Enthalpy of Vaporization: 88.447 kJ/mol; (21)Boiling Point: 593.206 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CNC(=O)c1cc(c(C)cc1)N3C(\C)=C/C(OCc2ccc(F)cc2F)=C(/Br)C3=O
2.InChI: InChI=1/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
3.InChIKey: KCAJXIDMCNPGHZ-UHFFFAOYAS

Product Name

PH 797804

PH 797804 Specification

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