Alternatived Products of [ 57497-39-9 ]
Product Details of [ 57497-39-9 ]
CAS No. : 57497-39-9
MDL No. : MFCD00012598
Formula :
C4 H12 ClNO
Boiling Point :
-
Linear Structure Formula : -
InChI Key : DCSATTBHEMKGIP-UHFFFAOYSA-N
M.W : 125.60
Pubchem ID : 2777896
Synonyms :
Calculated chemistry of [ 57497-39-9 ]
Physicochemical Properties
Num. heavy atoms :
7
Num. arom. heavy atoms :
0
Fraction Csp3 :
1.0
Num. rotatable bonds :
1
Num. H-bond acceptors :
2.0
Num. H-bond donors :
2.0
Molar Refractivity :
31.88
TPSA :
32.26 Ų
Pharmacokinetics
GI absorption :
High
BBB permeant :
Yes
P-gp substrate :
No
CYP1A2 inhibitor :
No
CYP2C19 inhibitor :
No
CYP2C9 inhibitor :
No
CYP2D6 inhibitor :
No
CYP3A4 inhibitor :
No
Log Kp (skin permeation) :
-6.29 cm/s
Lipophilicity
Log Po/w (iLOGP) :
0.0
Log Po/w (XLOGP3) :
1.09
Log Po/w (WLOGP) :
1.57
Log Po/w (MLOGP) :
1.04
Log Po/w (SILICOS-IT) :
-0.52
Consensus Log Po/w :
0.64
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
2.0
Bioavailability Score :
0.55
Water Solubility
Log S (ESOL) :
-1.24
Solubility :
7.24 mg/ml ; 0.0576 mol/l
Class :
Very soluble
Log S (Ali) :
-1.36
Solubility :
5.49 mg/ml ; 0.0437 mol/l
Class :
Very soluble
Log S (SILICOS-IT) :
-0.47
Solubility :
42.9 mg/ml ; 0.341 mol/l
Class :
Soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
1.0 alert
Leadlikeness :
1.0
Synthetic accessibility :
1.41
Application In Synthesis of [ 57497-39-9 ]
* 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 [ 57497-39-9 ]
1
[ 4835-90-9 ]
[ 57497-39-9 ]
[ 60859-59-8 ]
2
[ 5904-58-5 ]
[ 57497-39-9 ]
[ 60859-63-4 ]
3
[ 4448-72-0 ]
[ 57497-39-9 ]
C19 H23 NO3
[ No CAS ]
4
[ 57497-39-9 ]
[ 52066-10-1 ]
[ 52066-16-7 ]
5
[ 57497-39-9 ]
[ 103-71-9 ]
[ 35231-74-4 ]
6
[ 50-00-0 ]
[ 17176-77-1 ]
[ 57497-39-9 ]
[ 140173-68-8 ]
7
[ 14369-81-4 ]
[ 57497-39-9 ]
[ 120610-24-4 ]
8
[ 18913-37-6 ]
[ 57497-39-9 ]
[ 120610-19-7 ]
9
[ 1118-45-2 ]
[ 57497-39-9 ]
[ 77329-01-2 ]
10
[ 57497-39-9 ]
[ 122901-83-1 ]
[ 122901-57-9 ]
11
[ 57497-39-9 ]
[ 122901-84-2 ]
[ 122901-58-0 ]
12
[ 57497-39-9 ]
[ 129956-51-0 ]
C9 H15 NO3
[ No CAS ]
13
[ 57497-39-9 ]
[ 75039-59-7 ]
2-<(tert-Butylhydroxyamino)methylen>-5,5-dimethyl-1,3-cyclohexandion
[ No CAS ]
14
[ 57497-39-9 ]
6-(6-Methoxy-naphthalen-2-yl)-6-oxo-hexanoyl chloride
[ No CAS ]
[ 110842-44-9 ]
15
[ 57497-39-9 ]
<1R-<1β(α,R*,βS*),3aα,4β,7aβ>>-α-(acetyloxy)octahydro-β,7a-dimethyl-4-<<(1,1-dimethylethyl)dimethylsilyl>oxy>-1H-indene-1-propanol
[ No CAS ]
<1R-<1Β,(αR*,βS*),3aα,4β,7aβ>>-octahydro-4-<<(1,1-dimethylethyl)-dimethylsilyl>oxy>-β,7a-dimethyl-α-<<(1,1-dimethylethyl)imino>methyl>-1H-indene-1-ethanol acetate (ester) N-oxide
[ No CAS ]
16
[ 57497-39-9 ]
4-chlorooximinomethyl-1,2,2,5,5-pentamethyl-3-imidazoline 3-oxide
[ No CAS ]
[ 95057-92-4 ]
[ 102277-09-8 ]
17
[ 57497-39-9 ]
4-chlorooximinomethyl-1,2,2,5,5-pentamethyl-3-imidazoline 3-oxide
[ No CAS ]
[ 102277-08-7 ]
18
[ 57497-39-9 ]
[ 3282-30-2 ]
[ 51338-98-8 ]
[ 51339-02-7 ]
19
[ 57497-39-9 ]
[ 2094-72-6 ]
N-tert-Butyl-O-(1-adamantancarbonyl)hydroxylamin
[ No CAS ]
N-tert-Butyl-1-adamantancarbohydroxamsaeure
[ No CAS ]
20
[ 57497-39-9 ]
[ 1122-85-6 ]
[ 77328-99-5 ]
21
[ 57497-39-9 ]
[ 1118-44-1 ]
[ 77329-00-1 ]
22
[ 57497-39-9 ]
[ 103-80-0 ]
[ 68872-03-7 ]
23
[ 57497-39-9 ]
[ 1489-69-6 ]
(Z)-N-(cyclopropylmethylene)-2-methylpropan-2-amine N-oxide
[ No CAS ]
24
[ 57497-39-9 ]
[ 115109-21-2 ]
N-tert-butyl-α-(4-[18F]fluorophenyl)nitrone
[ No CAS ]
25
[ 57497-39-9 ]
[ 459-57-4 ]
[ 85623-70-7 ]
26
[ 57497-39-9 ]
[ 174355-71-6 ]
[ 174355-72-7 ]
27
[ 50777-76-9 ]
[ 57497-39-9 ]
α-tert-butyl-2-(diphenylphosphino)benzenemethanimine N-oxide
[ No CAS ]
28
[ 57497-39-9 ]
2-[Bis-(4-methoxy-phenyl)-phosphanyl]-benzaldehyde
[ No CAS ]
α-tert-butyl-2-(bis(4-methoxyphenyl)phosphino)benzenemethanimine N-oxide
[ No CAS ]
29
[ 57497-39-9 ]
2-(bis(4-trifluoromethylphenyl)phosphino)benzaldehyde
[ No CAS ]
α-tert-butyl-2-(bis(4-trifluorophenyl)phosphino)benzenemethanimine N-oxide
[ No CAS ]
30
[ 57497-39-9 ]
[ 98-88-4 ]
[ 7419-56-9 ]
31
[ 75-77-4 ]
[ 57497-39-9 ]
[ 82580-24-3 ]
32
[ 57497-39-9 ]
[ 197862-46-7 ]
(3R,3aR,6aS)-1-tert-Butyl-3-(1-phenylsulfanyl-vinyl)-hexahydro-cyclopenta[c]isoxazole
[ No CAS ]
33
[ 57497-39-9 ]
[ 162269-58-1 ]
(2-Hydroxy-5-methyl-phenyl)-(3-hydroxy-pyridin-2-yl)-methanone O-tert-butyl-oxime
[ No CAS ]
34
[ 57497-39-9 ]
[ 162269-57-0 ]
[ 162269-13-8 ]
35
[ 57497-39-9 ]
[ 162269-55-8 ]
(E)-2-[5-bromo-α-(tert-butoxyimino)-2-hydroxybenzyl]-3-hydroxypyridine
[ No CAS ]
[ 162267-12-1 ]
36
[ 57497-39-9 ]
(4-Fluoro-2-hydroxy-phenyl)-(3-hydroxy-pyridin-2-yl)-methanone
[ No CAS ]
(4-Fluoro-2-hydroxy-phenyl)-(3-hydroxy-pyridin-2-yl)-methanone O-tert-butyl-oxime
[ No CAS ]
37
[ 57497-39-9 ]
[ 201748-33-6 ]
(4-Chloro-2-hydroxy-phenyl)-(3-hydroxy-pyridin-2-yl)-methanone O-tert-butyl-oxime
[ No CAS ]
38
[ 57497-39-9 ]
[ 162269-66-1 ]
3-[[(Z)-tert-Butoxyimino]-(3-hydroxy-pyridin-2-yl)-methyl]-4-hydroxy-benzonitrile
[ No CAS ]
39
[ 57497-39-9 ]
[ 201748-34-7 ]
[ 162267-40-5 ]
40
[ 57497-39-9 ]
[ 201748-35-8 ]
[ 162267-36-9 ]
(5-Bromo-4-fluoro-2-hydroxy-phenyl)-(3-hydroxy-pyridin-2-yl)-methanone O-tert-butyl-oxime
[ No CAS ]
41
[ 57497-39-9 ]
[ 162271-34-3 ]
(5-Bromo-4-fluoro-2-hydroxy-phenyl)-(3-hydroxy-pyridin-2-yl)-methanone O-tert-butyl-oxime
[ No CAS ]
[ 162267-73-4 ]
42
[ 57497-39-9 ]
[ 162269-62-7 ]
[ 162267-42-7 ]
43
[ 57497-39-9 ]
[ 162269-63-8 ]
(2-Hydroxy-5-nitro-phenyl)-(3-hydroxy-pyridin-2-yl)-methanone O-tert-butyl-oxime
[ No CAS ]
44
[ 57497-39-9 ]
[ 162269-75-2 ]
[ 162268-79-3 ]
45
[ 57497-39-9 ]
[ 162271-23-0 ]
[ 162268-33-9 ]
(5-Bromo-4-fluoro-2-hydroxy-phenyl)-(3-hydroxy-pyridin-2-yl)-methanone O-tert-butyl-oxime
[ No CAS ]
46
[ 10353-53-4 ]
[ 57497-39-9 ]
1-(tert-Butyl-hydroxy-amino)-hex-5-en-2-ol
[ No CAS ]
47
[ 57497-39-9 ]
N-(4-Formylbenzyl)octa-O-acetyllactobionamide
[ No CAS ]
N-[4-(Octa-O-acetyllactobionamidomethylene)benzylidene]-N-tert-butylamine N-oxide
[ No CAS ]
48
[ 57497-39-9 ]
[ 242457-50-7 ]
[ 242457-52-9 ]
49
[ 57497-39-9 ]
[ 242457-50-7 ]
[ 242457-51-8 ]
50
[ 57497-39-9 ]
[ 18156-74-6 ]
[ 82580-24-3 ]
51
[ 541-59-3 ]
[ 57497-39-9 ]
C8 H13 N2 O3
[ No CAS ]
52
[ 930-88-1 ]
[ 57497-39-9 ]
C9 H15 N2 O3
[ No CAS ]
53
[ 941-69-5 ]
[ 57497-39-9 ]
C14 H17 N2 O3
[ No CAS ]
54
[ 623-43-8 ]
[ 57497-39-9 ]
C9 H18 NO3
[ No CAS ]
55
[ 51175-48-5 ]
[ 57497-39-9 ]
C12 H20 NO7
[ No CAS ]
56
[ 57497-39-9 ]
diethyl fumarate-d<SUB>2</SUB>
[ No CAS ]
C12 H20 (2) H2 NO5
[ No CAS ]
57
[ 57497-39-9 ]
[ 107-13-1 ]
N-tert-Butyl-2-cyanethylaminyl-N-oxid
[ No CAS ]
58
[ 57497-39-9 ]
[ 292638-85-8 ]
N-tert-Butyl-2-(methoxycarbonyl)ethylaminyl-N-oxid
[ No CAS ]
59
[ 57497-39-9 ]
[ 106-51-4 ]
C10 H14 NO3
[ No CAS ]
60
[ 57497-39-9 ]
[ 623-91-6 ]
C12 H22 NO5
[ No CAS ]
61
[ 57497-39-9 ]
[ 141-05-9 ]
C12 H22 NO5
[ No CAS ]
62
[ 57497-39-9 ]
[ 764-42-1 ]
C8 H12 N3 O
[ No CAS ]
63
[ 57497-39-9 ]
[ 162269-55-8 ]
E
[ No CAS ]
(E)-2-[5-bromo-α-(tert-butoxyimino)-2-hydroxybenzyl]-3-hydroxypyridine
[ No CAS ]
[ 162267-12-1 ]
64
[ 58138-72-0 ]
[ 57497-39-9 ]
[ 279215-20-2 ]
65
[ 57497-39-9 ]
[ 227471-76-3 ]
[ 307550-52-3 ]
66
[ 57497-39-9 ]
[ 94938-03-1 ]
(Z)-α-[1-Methyl-2-phenyl-1H-imidazol-5-yl]-N-tert-butylnitrone
[ No CAS ]
67
[ 57497-39-9 ]
[ 94938-02-0 ]
C15 H19 N3 O
[ No CAS ]
68
[ 57497-39-9 ]
[ 55385-72-3 ]
[ 315203-57-7 ]