CAS No.83002-04-4,5-(1,1-DIMETHYLHEPTYL)-2-[5-HYDROXY-2-(3-HYDROXYPROPYL)CYCLOHEXYL]PHENOL Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	83002-04-4
Name:	5-(1,1-DIMETHYLHEPTYL)-2-[5-HYDROXY-2-(3-HYDROXYPROPYL)CYCLOHEXYL]PHENOL
Article Data:	3

Formula:	C24H40 O3
Molecular Weight:	376.58
Synonyms:	Phenol,5-(1,1-dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-, (1a,2b,5a)-(-)-;(-)-CP 55940;5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol;
Density:	1.026 g/cm³
Melting Point:	65-68 °C
Boiling Point:	494.4 °C at 760 mmHg
Flash Point:	209.2 °C
Solubility:	DMSO: 15 mg/mL, soluble
Appearance:	solid
Safety:	S22;S24/25
PSA:	60.69000
LogP:	5.65730

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Specification

The 5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol, with the CAS registry number 83002-04-4,is also known as CP-55940. It belongs to the product categories of Cannabinoid receptor. This chemical's molecular formula is C₂₄H₄₀O₃ and molecular weight is 376.57.What's more,Its systematic name is 5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol.This chemical is hamfull to the health ,so when you use it,avoid contact with skin and eyes and do not breathe dust.

Physical properties about 5-(1,1-Dimethylheptyl)-2-[5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]phenol are:
(1)ACD/LogP: 6.198; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.20; (4)ACD/LogD (pH 7.4): 6.20; (5)ACD/BCF (pH 5.5): 30214.21; (6)ACD/BCF (pH 7.4): 30170.22; (7)ACD/KOC (pH 5.5): 56042.50; (8)ACD/KOC (pH 7.4): 55960.91; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 13; (12)Index of Refraction: 1.526; (13)Molar Refractivity: 112.633 cm³; (14)Molar Volume: 366.86 cm³; (15)Surface Tension: 40.0610008239746 dyne/cm; (16)Density: 1.026 g/cm³; (17)Flash Point: 209.207 °C; (18)Enthalpy of Vaporization: 80.228 kJ/mol; (19)Boiling Point: 494.446 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O[C@H]2C[C@@H](c1ccc(cc1O)C(C)(C)CCCCCC)[C@H](CCCO)CC2C;
(2)Std. InChI:InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1;
(3)Std. InChIKey:YNZFFALZMRAPHQ-SYYKKAFVSA-N.