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[ CAS No. 16282-16-9 ] {[proInfo.proName]}

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Chemical Structure| 16282-16-9
Chemical Structure| 16282-16-9
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Product Details of [ 16282-16-9 ]

CAS No. :16282-16-9 MDL No. :MFCD00010344
Formula : C16H16O Boiling Point : -
Linear Structure Formula :- InChI Key :UHKJKVIZTFFFSB-UHFFFAOYSA-N
M.W : 224.30 Pubchem ID :297636
Synonyms :

Calculated chemistry of [ 16282-16-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.19
Num. rotatable bonds : 4
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 70.74
TPSA : 17.07 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.11 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.74
Log Po/w (XLOGP3) : 3.61
Log Po/w (WLOGP) : 4.06
Log Po/w (MLOGP) : 3.77
Log Po/w (SILICOS-IT) : 4.33
Consensus Log Po/w : 3.7

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.76
Solubility : 0.0387 mg/ml ; 0.000172 mol/l
Class : Soluble
Log S (Ali) : -3.66
Solubility : 0.0496 mg/ml ; 0.000221 mol/l
Class : Soluble
Log S (SILICOS-IT) : -5.71
Solubility : 0.000437 mg/ml ; 0.00000195 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.02

Safety of [ 16282-16-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 16282-16-9 ]

* 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 [ 16282-16-9 ]

[ 16282-16-9 ] Synthesis Path-Downstream   1~101

  • 1
  • [ 451-40-1 ]
  • [ 74-96-4 ]
  • [ 16282-16-9 ]
  • 2
  • [ 693-03-8 ]
  • [ 16282-16-9 ]
  • (E)-oct-3-ene-3,4-diyldibenzene [ No CAS ]
  • 3
  • [ 4452-11-3 ]
  • [ 917-64-6 ]
  • [ 16282-16-9 ]
  • 5
  • [ 60-29-7 ]
  • [ 16282-16-9 ]
  • [ 677-22-5 ]
  • [ 7501-94-2 ]
  • 7
  • [ 16282-16-9 ]
  • [ 925-90-6 ]
  • [ 94264-77-4 ]
  • 8
  • [ 16282-16-9 ]
  • [ 927-77-5 ]
  • 3,4-diphenyl-hept-3-ene [ No CAS ]
  • 9
  • [ 16282-16-9 ]
  • [ 693-25-4 ]
  • 3,4-diphenyl-non-3-ene [ No CAS ]
  • 12
  • [ 30935-14-9 ]
  • [ 16282-16-9 ]
  • [ 6336-52-3 ]
  • 14
  • [ 105539-07-9 ]
  • [ 16282-16-9 ]
  • [ 6336-52-3 ]
  • 16
  • [ 493012-18-3 ]
  • [ 16282-16-9 ]
  • [ 65-85-0 ]
  • 17
  • [ 1823-62-7 ]
  • [ 16282-16-9 ]
  • [ 749-86-0 ]
  • 18
  • [ 16282-16-9 ]
  • [ 57272-42-1 ]
  • 19
  • phenylmagnesium bromide [ No CAS ]
  • [ 495-40-9 ]
  • [ 16282-16-9 ]
  • 20
  • (-)-Ethyl-desoxybenzoin [ No CAS ]
  • [ 16282-16-9 ]
  • 21
  • [ 451-40-1 ]
  • [ 74-96-4 ]
  • [ 16282-16-9 ]
  • [ 13676-20-5 ]
  • 22
  • [ 16282-16-9 ]
  • [ 456-64-4 ]
  • [ 113619-13-9 ]
  • [ 96212-86-1 ]
  • 23
  • [ 16282-16-9 ]
  • [ 456-64-4 ]
  • Trifluoro-methanesulfonic acid (Z)-1,2-diphenyl-but-1-enyl ester [ No CAS ]
  • Trifluoro-methanesulfonic acid (E)-1,2-diphenyl-but-1-enyl ester [ No CAS ]
  • 24
  • [ 16282-16-9 ]
  • [ 36282-40-3 ]
  • 1-(3-Methoxy-phenyl)-1,2-diphenyl-butan-1-ol [ No CAS ]
  • 25
  • [ 16282-16-9 ]
  • [ 128407-24-9 ]
  • (Z)-2-Ethyl-5-morpholin-4-yl-1,2,3,5-tetraphenyl-pent-4-en-1-one [ No CAS ]
  • 26
  • [ 16282-16-9 ]
  • [ 35258-27-6 ]
  • 1-p-dimethylaminoethoxyphenyl-1,2-diphenylbutan-1-ol [ No CAS ]
  • 27
  • [ 16282-16-9 ]
  • [ 97631-87-3 ]
  • 1-<4-(2,3,5,6-tetrafluoro-4-trifluoromethylphenoxy)phenyl>-1,2-diphenylbutan-1-ol [ No CAS ]
  • 29
  • [ 16282-16-9 ]
  • [ 53697-85-1 ]
  • 31
  • [ 16282-16-9 ]
  • [ 451-40-1 ]
  • [ 2919-23-5 ]
  • [ 5789-31-1 ]
  • [ 100-52-7 ]
  • [ 134-81-6 ]
  • 33
  • [ 495-40-9 ]
  • [ 146767-33-1 ]
  • [ 16282-16-9 ]
  • [ 146767-45-5 ]
  • 34
  • [ 16282-16-9 ]
  • [ 13139-86-1 ]
  • [ 650624-50-3 ]
  • 35
  • [ 16282-16-9 ]
  • [ 13139-86-1 ]
  • [ 109640-28-0 ]
  • 37
  • 2-benzotriazol-1-yl-1,2-diphenyl-butan-1-one [ No CAS ]
  • [ 16282-16-9 ]
  • 38
  • [ 7664-93-9 ]
  • 2,5-diethyl-2,3,5,6-tetraphenyl-[1,4]dioxane [ No CAS ]
  • [ 16282-16-9 ]
  • [ 6336-52-3 ]
  • 41
  • 1.2-diphenyl-butanol-(1) [ No CAS ]
  • [ 16282-16-9 ]
  • 42
  • 2.5-diethyl-2.3.5.6-tetraphenyl-1.4-dioxane [ No CAS ]
  • [ 16282-16-9 ]
  • 43
  • [ 64-17-5 ]
  • [ 16282-16-9 ]
  • sodium-amalgam [ No CAS ]
  • [ 7501-94-2 ]
  • 44
  • [ 64-17-5 ]
  • [ 16282-16-9 ]
  • sodium [ No CAS ]
  • [ 7501-94-2 ]
  • 45
  • [ 7664-93-9 ]
  • [ 30935-14-9 ]
  • [ 16282-16-9 ]
  • [ 6336-52-3 ]
  • 46
  • [ 7664-93-9 ]
  • [ 105539-07-9 ]
  • [ 16282-16-9 ]
  • [ 6336-52-3 ]
  • 47
  • [ 16282-16-9 ]
  • naphthyl-(1)-magnesium halide [ No CAS ]
  • 1-[1]naphthyl-1,2-diphenyl-but-1-ene [ No CAS ]
  • 49
  • [ 79-01-6 ]
  • [ 16282-16-9 ]
  • (E)-3,4-Dichloro-2-ethyl-1,2-diphenyl-but-3-en-1-one [ No CAS ]
  • (Z)-3,4-Dichloro-2-ethyl-1,2-diphenyl-but-3-en-1-one [ No CAS ]
  • 50
  • [ 108-86-1 ]
  • [ 495-40-9 ]
  • [ 16282-16-9 ]
  • [ 2491-41-0 ]
  • 51
  • [ 42436-86-2 ]
  • [ 98-80-6 ]
  • [ 16282-16-9 ]
  • [ 5407-91-0 ]
  • 52
  • [ 918793-63-2 ]
  • [ 16282-16-9 ]
  • 53
  • [ 918793-63-2 ]
  • [ 2474-07-9 ]
  • [ 16282-16-9 ]
  • [ 10540-29-1 ]
  • [ 13002-65-8 ]
  • 54
  • [ 918793-63-2 ]
  • [ 93790-54-6 ]
  • [ 16282-16-9 ]
  • [ 10540-29-1 ]
  • 55
  • [ 42436-86-2 ]
  • [ 98-80-6 ]
  • [ 16282-16-9 ]
  • [ 5407-91-0 ]
  • [ 63776-27-2 ]
  • 56
  • (C6H5)2C2H5C2B(C6H5)2 [ No CAS ]
  • [ 16282-16-9 ]
  • 59
  • [ 16282-16-9 ]
  • [ 20218-41-1 ]
  • 61
  • [ 16282-16-9 ]
  • 2-ethyl-2,3-diphenyl-thiirane [ No CAS ]
  • 62
  • [ 16282-16-9 ]
  • 2-ethyl-2,3-diphenyl-selenirane [ No CAS ]
  • 63
  • [ 16282-16-9 ]
  • (E)-2,3-Diphenyl-pent-2-enenitrile [ No CAS ]
  • 65
  • [ 170878-78-1 ]
  • [ 16282-16-9 ]
  • 67
  • [ 16282-16-9 ]
  • [ 13002-65-8 ]
  • 78
  • [ 16282-16-9 ]
  • Z-1-<4-(2-chloro-3,4,5,6-tetrafluorophenoxy)phenyl>-1,2-diphenyl-1-butene [ No CAS ]
  • 79
  • [ 16282-16-9 ]
  • Z-1,2-diphenyl-1-<4-<3-methoxy-2,5,6-trifluoro-4-(trifluoromethyl)phenoxy>phenyl>-1-butene [ No CAS ]
  • 80
  • [ 16282-16-9 ]
  • Z-1,2-diphenyl-1-(4-<3,5-dimethoxy-2,6-difluoro-4-(trifluoromethyl)phenoxy>phenyl)-1-butene [ No CAS ]
  • 81
  • [ 16282-16-9 ]
  • Z-1-<4-<2,5,6-trimethoxy-3,4-bis(trifluoromethyl)phenoxy>phenyl>-1,2-diphenyl-1-butene [ No CAS ]
  • 82
  • [ 16282-16-9 ]
  • 2-[4-((Z)-1,2-Diphenyl-but-1-enyl)-phenoxy]-N-[2-({2-[4-((Z)-1,2-diphenyl-but-1-enyl)-phenoxy]-acetyl}-methyl-amino)-ethyl]-N-methyl-acetamide [ No CAS ]
  • 83
  • [ 16282-16-9 ]
  • 2-[4-((Z)-1,2-Diphenyl-but-1-enyl)-phenoxy]-N-(4-{2-[4-((Z)-1,2-diphenyl-but-1-enyl)-phenoxy]-acetylamino}-butyl)-acetamide [ No CAS ]
  • 84
  • [ 16282-16-9 ]
  • 2-[4-((Z)-1,2-Diphenyl-but-1-enyl)-phenoxy]-1-(4-{2-[4-((Z)-1,2-diphenyl-but-1-enyl)-phenoxy]-acetyl}-piperazin-1-yl)-ethanone [ No CAS ]
  • 85
  • [ 16282-16-9 ]
  • 2-[4-((Z)-1,2-Diphenyl-but-1-enyl)-phenoxy]-N-(6-{2-[4-((Z)-1,2-diphenyl-but-1-enyl)-phenoxy]-acetylamino}-hexyl)-acetamide [ No CAS ]
  • 86
  • [ 16282-16-9 ]
  • 2-[4-((Z)-1,2-Diphenyl-but-1-enyl)-phenoxy]-N-(8-{2-[4-((Z)-1,2-diphenyl-but-1-enyl)-phenoxy]-acetylamino}-octyl)-acetamide [ No CAS ]
  • 87
  • [ 16282-16-9 ]
  • 2-[4-((Z)-1,2-Diphenyl-but-1-enyl)-phenoxy]-N-(12-{2-[4-((Z)-1,2-diphenyl-but-1-enyl)-phenoxy]-acetylamino}-dodecyl)-acetamide [ No CAS ]
  • 91
  • [ 16282-16-9 ]
  • Z-1,2-diphenyl-1-<4-(2,3,5,6-tetrafluoro-4-pyridyloxy)phenyl>-1-butene [ No CAS ]
  • 92
  • [ 16282-16-9 ]
  • E-1,2-diphenyl-1-<4-(2,3,5,6-tetrafluoro-4-pyridyloxy)phenyl>-1-butene [ No CAS ]
  • 93
  • [ 16282-16-9 ]
  • [ 97819-01-7 ]
  • 94
  • [ 16282-16-9 ]
  • E-1,2-diphenyl-1-<4-(pentafluorophenoxy)phenyl>-1-butene [ No CAS ]
  • 95
  • [ 16282-16-9 ]
  • Z-1-<4-(4-chloro-2,3,5,6-tetrafluorophenoxy)phenyl>-1,2-diphenyl-1-butene [ No CAS ]
  • 96
  • [ 16282-16-9 ]
  • E-1-<4-(4-chloro-2,3,5,6-tetrafluorophenoxy)phenyl>-1,2-diphenyl-1-butene [ No CAS ]
  • 98
  • [ 16282-16-9 ]
  • E-2,3,5,6-tetrafluoro-4-<4-(1,2-diphenyl-1-butenyl)phenoxy>benzonitrile [ No CAS ]
  • 100
  • [ 16282-16-9 ]
  • [ 97818-88-7 ]
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