Alternatived Products of [ 146535-11-7 ]
Product Details of [ 146535-11-7 ]
CAS No. : 146535-11-7
MDL No. : MFCD00270913
Formula :
C16 H14 N2 O2
Boiling Point :
-
Linear Structure Formula : -
InChI Key : QNOXYUNHIGOWNY-UHFFFAOYSA-N
M.W :
266.29
Pubchem ID : 2049
Synonyms :
AG 1296
Chemical Name : 6,7-Dimethoxy-2-phenylquinoxaline
Calculated chemistry of [ 146535-11-7 ] Expand+
Physicochemical Properties
Num. heavy atoms :
20
Num. arom. heavy atoms :
16
Fraction Csp3 :
0.12
Num. rotatable bonds :
3
Num. H-bond acceptors :
4.0
Num. H-bond donors :
0.0
Molar Refractivity :
77.96
TPSA :
44.24 ?2
Pharmacokinetics
GI absorption :
High
BBB permeant :
Yes
P-gp substrate :
No
CYP1A2 inhibitor :
Yes
CYP2C19 inhibitor :
Yes
CYP2C9 inhibitor :
Yes
CYP2D6 inhibitor :
Yes
CYP3A4 inhibitor :
Yes
Log Kp (skin permeation) :
-5.5 cm/s
Lipophilicity
Log Po/w (iLOGP) :
2.92
Log Po/w (XLOGP3) :
3.42
Log Po/w (WLOGP) :
3.31
Log Po/w (MLOGP) :
1.67
Log Po/w (SILICOS-IT) :
3.48
Consensus Log Po/w :
2.96
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
0.0
Bioavailability Score :
0.55
Water Solubility
Log S (ESOL) :
-4.04
Solubility :
0.0243 mg/ml ; 0.0000913 mol/l
Class :
Moderately soluble
Log S (Ali) :
-4.03
Solubility :
0.0249 mg/ml ; 0.0000935 mol/l
Class :
Moderately soluble
Log S (SILICOS-IT) :
-6.1
Solubility :
0.000211 mg/ml ; 0.000000791 mol/l
Class :
Poorly soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
0.0 alert
Leadlikeness :
0.0
Synthetic accessibility :
2.39
Safety of [ 146535-11-7 ]
Application In Synthesis of [ 146535-11-7 ]
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Downstream synthetic route of [ 146535-11-7 ]
1
[ 146535-11-7 ]
2-Phenyl-quinoxaline-6,7-diol; hydrobromide
[ No CAS ]
2
[ 146535-11-7 ]
[ 50616-92-7 ]
3
[ 1074-12-0 ]
[ 27841-33-4 ]
[ 146535-11-7 ]
4
[ 3395-03-7 ]
[ 146535-11-7 ]
Yield Reaction Conditions Operation in experiment
2-phenyl-6,7-dimetoxyquinoxaline, m.p. 200 C.
2-phenyl-6,7-dimethoxyquinoxaline, m.p. 200 C.
6
[ 582-24-1 ]
[ 27841-33-4 ]
[ 146535-11-7 ]
Yield Reaction Conditions Operation in experiment
50%
With triphenylantimony; In dichloromethane; at 20.0℃; for 24.0h;
General procedure: Triphenylstibane(35.5 mg, 0.1 mmol, 10 mol%) and diamine 2 (1.2 mmol) were added to a solution of -hydroxy ketone 1(1 mmol) in toluene (6 mL) under air. The solution was stirred at room temperature and monitored byTLC. The reaction mixture was concentrated under reduced pressure and the residue was purified bycolumn chromatography (CH2Cl2) on silica gel. The products were confirmed by comparison of mp,NMR data, and MS spectra with that in the literature. 822:
7
[ 64-04-0 ]
[ 27841-33-4 ]
[ 146535-11-7 ]
8
[ 24395-14-0 ]
[ 16791-41-6 ]
[ 146535-11-7 ]
9
N-{2-[(2-bromo-4,5-dimethoxyphenyl)amino]-2-phenylethyl}-4-methylbenzenesulfonamide
[ No CAS ]
[ 146535-11-7 ]
10
ethyl 3-(3,4-dimethoxyphenylamino)-3-phenylacrylate
[ No CAS ]
[ 146535-11-7 ]