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[ CAS No. 13569-65-8 ] {[proInfo.proName]}

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Chemical Structure| 13569-65-8
Chemical Structure| 13569-65-8
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Product Citations

Product Citations

Aaron R. Wegener ; Subrata K. Ghosh ; Nattamai Bhuvanesh , et al. DOI:

Abstract: Reactions of RhCl3 and (S,S)-1,2-diphenylethylenediamine (S,S-dpen) in DMSO at 140?°C give Λ-[Rh(S,S-dpen)3]3+3Cl? (Λ-(S,S)-43+3Cl?) in 76?% yield. When CH2Cl2/water suspensions are treated with 1.0 equiv. of Na+ B(C6F5)4? or Na+ B(3,5-C6H3(CF3)2)4?, the mixed salts Λ-(S,S)-43+2Cl?B(aryl)4? can be isolated from the organic layers (95–91?%). A wide variety of mixed and non-mixed salts involving these and other anions (BF4?, ClO4?, I?) are also prepared. The lipophilic salts are highly enantioselective catalysts for the Michael addition of dimethylmalonate to trans-?-nitrostyrene (acetone, 0?°C; 92–85?% ee). The crystal structures of seven solvated salts are determined, and hydrogen bonding between the trications and anions or solvate molecules analyzed. There is a notable affinity of chloride anions for the C3 face of Λ-(S,S)-43+, which features three synperiplanar NH groups. Λ-(S,S)-43+2I?B(C6F5)4? is an excellent chiral solvating agent for determining enantiomeric purities of chiral organic molecules with hydrogen bond accepting functional groups (11?mol% (average), CDCl3).

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Product Details of [ 13569-65-8 ]

CAS No. :13569-65-8 MDL No. :MFCD00149840
Formula : Cl3H6O3Rh Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 263.31 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 13569-65-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : None
Num. rotatable bonds : 0
Num. H-bond acceptors : None
Num. H-bond donors : None
Molar Refractivity : 26.7
TPSA : 27.69 ?2

Pharmacokinetics

GI absorption : None
BBB permeant : None
P-gp substrate : None
CYP1A2 inhibitor : None
CYP2C19 inhibitor : None
CYP2C9 inhibitor : None
CYP2D6 inhibitor : None
CYP3A4 inhibitor : None
Log Kp (skin permeation) : None cm/s

Lipophilicity

Log Po/w (iLOGP) : None
Log Po/w (XLOGP3) : None
Log Po/w (WLOGP) : None
Log Po/w (MLOGP) : None
Log Po/w (SILICOS-IT) : None
Consensus Log Po/w : None

Druglikeness

Lipinski : None
Ghose : None
Veber : None
Egan : None
Muegge : None
Bioavailability Score : None

Water Solubility

Log S (ESOL) : None
Solubility : None mg/ml ; None mol/l
Class : None
Log S (Ali) : None
Solubility : None mg/ml ; None mol/l
Class : None
Log S (SILICOS-IT) : None
Solubility : None mg/ml ; None mol/l
Class : None

Medicinal Chemistry

PAINS : None alert
Brenk : None alert
Leadlikeness : None
Synthetic accessibility : None

Safety of [ 13569-65-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P270-P301+P312+P330-P501 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:
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