(R)-Lansoprazole supplier | CasNO.138530-94-6

Name
R-(+)-Lansoprazole
EINECS 1308068-626-2
CAS No. 138530-94-6
Article Data38
CAS DataBase
Density 1.50±0.1 g/cm3(Predicted)
Solubility
Melting Point 66-68?C
Formula C₁₆H₁₄F₃N₃O₂S
Boiling Point 555.8±60.0 °C(Predicted)
Molecular Weight 369.367
Flash Point
Transport Information
Appearance Brown solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Benzimidazole,2-[[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-, (R)-;(+)-Lansoprazole;(R)-2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]sulfinyl]-1H-benzimidazole;(R)-2-[[[3-Methyl-4-(2,2,2-trifluoroethoxy)-2-pyridyl]methyl]sulfinyl]-1H-benzimidazole;Dexlansoprazole;R-(+)-Lansoprazole;T 168390;TAK 390;(R)-(+)-Lansoprazole;
PSA 87.08000
LogP 4.38090

(R)-Lansoprazole Specification

The (R)-Lansoprazole, with the CAS registry number 138530-94-6, has the systematic name of 2-({[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methyl}sulfinyl)-1H-benzimidazole. It belongs to the following product categories: Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals; Sulfur & Selenium Compounds. And the molecular formula of the chemical is C₁₆H₁₄F₃N₃O₂S.

The characteristics of (R)-Lansoprazole are as followings: (1)ACD/LogP: 2.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.75; (4)ACD/LogD (pH 7.4): 2.76; (5)ACD/BCF (pH 5.5): 72.3; (6)ACD/BCF (pH 7.4): 72.89; (7)ACD/KOC (pH 5.5): 740.79; (8)ACD/KOC (pH 7.4): 746.86; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 76.22 Å²; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 88.03 cm³; (15)Molar Volume: 245.8 cm³; (16)Polarizability: 34.89×10^-24cm³; (17)Surface Tension: 68.9 dyne/cm; (18)Density: 1.5 g/cm³; (19)Flash Point: 289.9 °C; (20)Enthalpy of Vaporization: 83.72 kJ/mol; (21)Boiling Point: 555.8 °C at 760 mmHg; (22)Vapour Pressure: 2.16E-12 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)COc1c(c(ncc1)CS(=O)c3nc2ccccc2n3)C
(2)InChI: InChI=1/C16H14F3N3O2S/c1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15/h2-7H,8-9H2,1H3,(H,21,22)
(3)InChIKey: MJIHNNLFOKEZEW-UHFFFAOYAS

Product Name

R-(+)-Lansoprazole

(R)-Lansoprazole Specification

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