Products Categories
| CAS No.: | 944328-88-5 |
|---|---|
| Name: | QS11 |
| Molecular Structure: | |
|
|
|
| Formula: | C36H33N5O2 |
| Molecular Weight: | 567.68 |
| Synonyms: | (2S)-2-[2-(Indan-5-yloxy)-9-(1,1'-biphenyl-4-yl)methyl)-9H-purin-6-ylamino]-3-phenyl-propan-1-ol;(betaS)-beta-[[9-([1,1'-Biphenyl]-4-ylmethyl)-2-[(2,3-dihydro-1H-inden-5-yl)oxy]-9H-purin-6-yl]amino]benzenepropanol;(2S)-2-{[9-(4-Biphenylylmethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-9H-purin-6-yl]amino}-3-phenyl-1-propanol; |
| Density: | 1.276 g/cm3 |
| Boiling Point: | 852.187 °C at 760 mmHg |
| Flash Point: | 469.186 °C |
| Solubility: | Soluble to 100 mM in DMSO and to 100 mM in ethanol |
| PSA: | 85.09000 |
| LogP: | 6.91110 |
- 958254-66-51H-Imidazo[4,5-b]pyridine-2-carboxaldehyde, 1-methyl-, hydrochloride
- 99170-93-1N-Methyl-2-oxazolamine
- 97730-31-9(S)-4'-(2-Methylbutyl)Biphenyl-4-Carbonitrile
- 95789-13-21,3,7-trimethylpurine-2,6-dione
- 956104-42-02-Bromo-5-nitro-3-(trifluoromethyl)pyridine
- 945683-37-41-butyl-2,3-dimethylimidazolium octanesulfate
- 946052-36-41-Butyl-3-methylpyridinium methanesulfonate
- 944329-24-22-Acetamido-1,4-imino-1,2,4-trideoxy-L-arabinitol
- 960294-15-95-BROMOISOQUINOLIN-1-AMINE
- 960294-12-6tert-Butyl 2-(2-chloro-ethyl)-2-cyanopyrrolidine-1-carboxylate
- 944450-49-1Diacetato{(R)-(+)-5,5'-bis[di(3,5-xylyl)phosphino]-4,4'-bi-1,3-benzodioxole}ruthenium(II) Ru(OAc)2[(R)-dm-segphos]
- 944537-61-5R 5011 (dopant)
- 94469-32-6Polysiloxanes,polyether-
- 94-53-1Piperonylic acid
- 94576-68-81-(biphenyl-4-yl)-2-methyl-2-morpholinopropan-1-one
- 94581-17-6Resin acids and Rosin acids, maleated, esters with pentaerythritol
- 94624-09-62-Propenoic acid, reaction products with glycidyl tert-decanoate
- 94-63-3PYRIDINE-2-CARBOXALDOXIME METHIODIDE
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
- 10161-34-9Trenbolone acetate
- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
- Total:14 Page 1 of 1 1
What can I do for you?
Get Best Price
Specification
The QS 11, with the CAS registry number 944328-88-5, is also known as (betaS)-beta-[[9-([1,1'-Biphenyl]-4-ylmethyl)-2-[(2,3-dihydro-1H-inden-5-yl)oxy]-9H-purin-6-yl]amino]benzenepropanol. This chemical's molecular formula is C36H33N5O2 and molecular weight is 567.68. What's more, its systematic name is (2S)-2-{[9-(4-Biphenylylmethyl)-2-(2,3-dihydro-1H-inden-5-yloxy)-9H-purin-6-yl]amino}-3-phenyl-1-propanol.
Physical properties of QS 11 are: (1)ACD/LogP: 8.039; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 8.04; (4)ACD/LogD (pH 7.4): 8.04; (5)ACD/BCF (pH 5.5): 757928.40; (6)ACD/BCF (pH 7.4): 758056.60; (7)ACD/KOC (pH 5.5): 562582.80; (8)ACD/KOC (pH 7.4): 562677.90; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 85.09 Å2; (13)Index of Refraction: 1.684; (14)Molar Refractivity: 169.035 cm3; (15)Molar Volume: 444.842 cm3; (16)Polarizability: 67.011×10-24cm3; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.276 g/cm3; (19)Flash Point: 469.186 °C; (20)Enthalpy of Vaporization: 129.769 kJ/mol; (21)Boiling Point: 852.187 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)CC(CO)Nc2c3c(nc(n2)Oc4ccc5c(c4)CCC5)n(cn3)Cc6ccc(cc6)c7ccccc7
(2)Std. InChI: InChI=1S/C36H33N5O2/c42-23-31(20-25-8-3-1-4-9-25)38-34-33-35(40-36(39-34)43-32-19-18-28-12-7-13-30(28)21-32)41(24-37-33)22-26-14-16-29(17-15-26)27-10-5-2-6-11-27/h1-6,8-11,14-19,21,24,31,42H,7,12-13,20,22-23H2,(H,38,39,40)/t31-/m0/s1
(3)Std. InChIKey: DOKZLKDGUQWMSX-HKBQPEDESA-N