CAS No.256934-39-1,(+/-)-4R-[4-(1,1-DIMETHYLHEPTYL)-2,6-DIMETHOXYPHENYL]-6,6-DIMETHYL-1R,5R-BICYCLO[3.1.1]HEPT-2-ENE-2-METHANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	256934-39-1
Name:	(+/-)-4R-[4-(1,1-DIMETHYLHEPTYL)-2,6-DIMETHOXYPHENYL]-6,6-DIMETHYL-1R,5R-BICYCLO[3.1.1]HEPT-2-ENE-2-METHANOL

Formula:	C₂₇H₄₂O₃
Molecular Weight:	414.629
Synonyms:	HU 308;
Density:	0.999 g/cm³
Boiling Point:	508.668 °C at 760 mmHg
Flash Point:	261.433 °C
PSA:	38.69000
LogP:	6.63000

Total:27 Page 1 of 1 1

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Specification

The HU 308, with the CAS registry number 256934-39-1, is also known as Bicyclo[3.1.1]hept-2-ene-2-methanol, 4-[4-(1,1-dimethylheptyl)-2,6-dimethoxyphenyl]-6,6-dimethyl-, (1S,4S,5S)-. This chemical's molecular formula is C₂₇H₄₂O₃ and molecular weight is 414.62. Its systematic name is called {(1S,4S,5S)-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}methanol. HU-308 is a drug which acts as a cannabinoid agonist. It has analgesic effects, promotes proliferation of neural stem cells, and protects both liver and blood vessel tissues against oxidative stress via inhibition of TNF-α.

Physical properties of HU 308: (1)ACD/LogP: 9.51; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9; (4)ACD/LogD (pH 7.4): 9; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1396672; (8)ACD/KOC (pH 7.4): 1396672; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Index of Refraction: 1.514; (13)Molar Refractivity: 124.837 cm³; (14)Molar Volume: 414.894 cm³; (15)Surface Tension: 34.945 dyne/cm; (16)Density: 0.999 g/cm³; (17)Flash Point: 261.433 °C; (18)Enthalpy of Vaporization: 82.028 kJ/mol; (19)Boiling Point: 508.668 °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(c1cc(cc(OC)c1[C@H]2\C=C(/[C@H]3C[C@@H]2C3(C)C)CO)C(C)(C)CCCCCC)C
(2)InChI: InChI=1/C27H42O3/c1-8-9-10-11-12-26(2,3)19-14-23(29-6)25(24(15-19)30-7)20-13-18(17-28)21-16-22(20)27(21,4)5/h13-15,20-22,28H,8-12,16-17H2,1-7H3/t20-,21+,22-/m0/s1
(3)InChIKey: CFMRIVODIXTERW-BDTNDASRBP