CAS No.68301-99-5,Ethyl 2-amino-7-isopropyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	68301-99-5
Name:	Ethyl 2-amino-7-isopropyl-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylate
Article Data:	4

Formula:	C₁₈H₁₈N₂O₄
Molecular Weight:	326.352
Synonyms:	2-Amino-7-(1-methylethyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid ethyl ester;5H-[1]Benzopyrano[2,3-b]pyridine-3-carboxylicacid, 2-amino-7-(1-methylethyl)-5-oxo-, ethyl ester;
Density:	1.287 g/cm³
Melting Point:	243-244 °C
Boiling Point:	528.54 °C at 760 mmHg
Flash Point:	273.452 °C
PSA:	95.42000
LogP:	3.80470

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Specification

Ethyl 2-amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate is an organic compound with the formula C₁₈H₁₈N₂O₄, and its systematic name is the same with the product name. With the CAS registry number 68301-99-5, it is also named as 2-Amino-7-(1-methylethyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid ethyl ester. In addition, the molecular weight is 326.35.

Physical properties of Ethyl 2-amino-7-isopropyl-5-oxo-5H-chromeno[2,3-b]pyridine-3-carboxylate are: (1)ACD/LogP: 5.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.48; (4)ACD/LogD (pH 7.4): 5.48; (5)ACD/BCF (pH 5.5): 8605.20; (6)ACD/BCF (pH 7.4): 8605.22; (7)ACD/KOC (pH 5.5): 22808.24; (8)ACD/KOC (pH 7.4): 22808.29; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 91.51 Å²; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 88.45 cm³; (15)Molar Volume: 253.588 cm³; (16)Polarizability: 35.064×10^-24cm³; (17)Surface Tension: 56.01 dyne/cm; (18)Density: 1.287 g/cm³; (19)Flash Point: 273.452 °C; (20)Enthalpy of Vaporization: 80.338 kJ/mol; (21)Boiling Point: 528.54 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1cc2c(=O)c3cc(ccc3oc2nc1N)C(C)C
(2)InChI: InChI=1/C18H18N2O4/c1-4-23-18(22)13-8-12-15(21)11-7-10(9(2)3)5-6-14(11)24-17(12)20-16(13)19/h5-9H,4H2,1-3H3,(H2,19,20)
(3)InChIKey: PFDJAEKKGJFCNL-UHFFFAOYAN