8-(Benzyloxy)-5-[(1R)-2-bromo-1-hydroxyethyl]quinolin-2(1H)-one supplier

Name
8-Benzyloxy-5-((R)-2-broMo-1-hydroxyethyl)-1H-quinolinone
EINECS
CAS No. 530084-79-8
Article Data30
CAS DataBase
Density 1.491 g/cm³
Solubility
Melting Point
Formula C₁₈H₁₆BrNO₃
Boiling Point 595.764 °C at 760 mmHg
Molecular Weight 374.234
Flash Point 314.107 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 8-Benzyloxy-5-((R)-2-bromo-1-hydroxyethyl)-1H-quinolinone;
PSA 62.32000
LogP 3.53540

8-(Benzyloxy)-5-[(1R)-2-bromo-1-hydroxyethyl]quinolin-2(1H)-one Specification

The 2(1H)-Quinolinone, 5-[(1R)-2-bromo-1-hydroxyethyl]-8-(phenylmethoxy)-, with the CAS registry number 530084-79-8, is also known as 8-Benzyloxy-5-((R)-2-bromo-1-hydroxyethyl)-1H-quinolinone. It belongs to the product categories of Aromatics; Chiral Reagents; Heterocycles; Intermediates & Fine Chemicals; Pharmaceuticals. This chemical's molecular formula is C₁₈H₁₆BrNO₃ and molecular weight is 373.03. What's more, its systematic name is called 8-(Benzyloxy)-5-[(1R)-2-bromo-1-hydroxyethyl]quinolin-2(1H)-one.

Physical properties about 2(1H)-Quinolinone, 5-[(1R)-2-bromo-1-hydroxyethyl]-8-(phenylmethoxy)- are: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 44; (6)ACD/BCF (pH 7.4): 44; (7)ACD/KOC (pH 5.5): 526; (8)ACD/KOC (pH 7.4): 526; (9)#H bond acceptors: 4; (10)#H bond donors: 2 ; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 58.56 Å²; (13)Index of Refraction: 1.649; (14)Molar Refracivity: 91.494 cm³; (15)Molar Volume: 251.044 cm³; (16)Surface Tension: 57.801 dyne/cm; (17)Density: 1.491 g/cm³; (18)Flash Point: 314.107 °C; (19)Enthalpy of Vaporization: 93.357 kJ/mol; (20)Boiling Point: 595.764 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: BrC[C@H](O)c3ccc(OCc1ccccc1)c2c3\C=C/C(=O)N2
(2) InChI: InChI=1S/C18H16BrNO3/c19-10-15(21)13-6-8-16(18-14(13)7-9-17(22)20-18)23-11-12-4-2-1-3-5-12/h1-9,15,21H,10-11H2,(H,20,22)/t15-/m0/s1
(3) InChIKey: GNFMSZCSSUZAGV-HNNXBMFYSA-N

Product Name

8-Benzyloxy-5-((R)-2-broMo-1-hydroxyethyl)-1H-quinolinone

8-(Benzyloxy)-5-[(1R)-2-bromo-1-hydroxyethyl]quinolin-2(1H)-one Specification

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