(R)-baclofen (69308-37-8)

The (R)-Baclofen with cas registry number of 69308-37-8, is also named Benzenepropanoicacid, b-(aminomethyl)-4-chloro-, (R)- ; (R)-4-Amino-3-(4-chlorophenyl)butyric acid .The (R)-Baclofen belongs to the following product categories : GABA/Glycine receptor .

Physical properties of (R)-Baclofen : (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.94; (4)ACD/LogD (pH 7.4): -0.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 55.06 cm³; (15)Molar Volume: 166.2 cm³; (16)Polarizability: 21.82×10^-24cm³; (17)Surface Tension: 53 dyne/cm; (18)Enthalpy of Vaporization: 64.41 kJ/mol; (19)Vapour Pressure: 6.01E-06 mmHg at 25°C .

You can still convert the following datas into molecular structure: (1)SMILES:Clc1ccc(cc1)[C@H](CN)CC(=O)O; (2)InChI:InChI=1/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1; (3)InChIKey:KPYSYYIEGFHWSV-QMMMGPOBBK; (4)Std. InChI:InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1; (5)Std. InChIKey:KPYSYYIEGFHWSV-QMMMGPOBSA-N.

Biological activity of (R)-Baclofen is : more active enantiomer of ( RS )-Baclofen ((RS)-4-Amino-3-(4-chlorophenyl)butanoic acid) , a selective GABA B agonist.