CAS No.202463-68-1,1-(2,4-DICHLOROPHENYL)-5-(4-IODOPHENYL)-4-METHYL-N-4-MORPHOLINYL-1H-PYRAZOLE-3-CARBOXAMIDE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	202463-68-1
Name:	1-(2,4-DICHLOROPHENYL)-5-(4-IODOPHENYL)-4-METHYL-N-4-MORPHOLINYL-1H-PYRAZOLE-3-CARBOXAMIDE

Formula:	C₂₁H₁₉Cl₂IN₄O₂
Molecular Weight:	557.21
Synonyms:	AM 281;1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-(morpholin-4-yl)-1H-pyrazole-3-carboxamide;
Density:	1.7 g/cm³
Solubility:	DMSO: > 6 mg/mL
Appearance:	White to off-white solid.
Hazard Symbols:	T
Risk Codes:	25-36/37/38
Safety:	26-36/37/39-45
Transport Information:	UN 2811 6.1/PG 3
PSA:	59.39000
LogP:	5.06490

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Specification

The CAS register number of 1H-Pyrazole-3-carboxamide,1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-4-morpholinyl- is 202463-68-1. It also can be called as 1-(2,4-Dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-4-morpholinyl-1H-pyrazole-3-carboxamide and the systematic name about this chemical is 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-morpholin-4-yl-1H-pyrazole-3-carboxamide. The molecular formula about this chemical is C₂₁H₁₉Cl₂IN₄O₂ and the molecular weight is 557.21. It belongs to the Cannabinoid receptor.

Physical properties about 1H-Pyrazole-3-carboxamide,1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-4-morpholinyl- are: (1)ACD/LogP: 5.22; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 4.9; (4)ACD/LogD (pH 7.4): 4.9; (5)ACD/BCF (pH 5.5): 3142.29; (6)ACD/BCF (pH 7.4): 3141.47; (7)ACD/KOC (pH 5.5): 11089.8; (8)ACD/KOC (pH 7.4): 11086.9; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 50.6Å²; (13)Index of Refraction: 1.706; (14)Molar Refractivity: 127.06 cm³; (15)Molar Volume: 326.5 cm³; (16)Polarizability: 50.37x10^-24cm³; (17)Surface Tension: 55.5 dyne/cm.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed. It is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NN1CCOCC1)c4nn(c2ccc(Cl)cc2Cl)c(c3ccc(I)cc3)c4C
(2)InChI: InChI=1/C21H19Cl2IN4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-28(18-7-4-15(22)12-17(18)23)20(13)14-2-5-16(24)6-3-14/h2-7,12H,8-11H2,1H3,(H,26,29)
(3)InChIKey: AJFFBPZYXRNAIC-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C21H19Cl2IN4O2/c1-13-19(21(29)26-27-8-10-30-11-9-27)25-28(18-7-4-15(22)12-17(18)23)20(13)14-2-5-16(24)6-3-14/h2-7,12H,8-11H2,1H3,(H,26,29)
(5)Std. InChIKey: AJFFBPZYXRNAIC-UHFFFAOYSA-N