CAS No.479-43-6,Canthin-6-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	479-43-6
Name:	Canthin-6-one
Article Data:	17

Formula:	C₁₄H₈N₂O
Molecular Weight:	220.23
Synonyms:	Canthin-6-one;6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one;
EINECS:	200-258-5
Density:	1.4 g/cm³
Melting Point:	161-161.5 °C
Boiling Point:	346.5 °C at 760 mmHg
Flash Point:	163.4 °C
PSA:	34.37000
LogP:	2.43870

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Specification

The CAS registry number of 6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one is 479-43-6. This chemical is also named as Canthin-6-one. In addition, its molecular formula is C₁₄H₈N₂O and molecular weight is 220.2261. Its systematic name is called 6H-Indolo(3,2,1-de)(1,5)naphthyridin-6-one.

Physical properties about 6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one are: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 46.58; (6)ACD/BCF (pH 7.4): 92.37; (7)ACD/KOC (pH 5.5): 446.29; (8)ACD/KOC (pH 7.4): 885.03; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.763; (13)Molar Refractivity: 64.72 cm³; (14)Molar Volume: 156.7 cm³; (15)Surface Tension: 59.5 dyne/cm; (16)Density: 1.4 g/cm³; (17)Flash Point: 163.4 °C; (18)Enthalpy of Vaporization: 59.07 kJ/mol; (19)Boiling Point: 346.5 °C at 760 mmHg.

Preparation: this chemical can be prepared by 5,6-dihydro-4H-indolo[3,2,1-de][1,5]naphthyridine. This reaction will need reagent triethylbenzylammonium permanganate and solvents acetic acid, CH₂Cl₂. The reaction time is 4 hours with reaction temperature of 70 °C. The yield is about 65 %.

6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one can be prepared by 5,6-dihydro-4H-indolo[3,2,1-de][1,5]naphthyridine

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2/C=C\c4nccc3c1ccccc1n2c34
(2)InChI: InChI=1/C14H8N2O/c17-13-6-5-11-14-10(7-8-15-11)9-3-1-2-4-12(9)16(13)14/h1-8H
(3)InChIKey: ZERVJPYNQLONEK-UHFFFAOYAN