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[ CAS No. 40751-89-1 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 40751-89-1
Chemical Structure| 40751-89-1
Chemical Structure| 40751-89-1
Structure of 40751-89-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 40751-89-1 ]

CAS No. :40751-89-1 MDL No. :MFCD00527902
Formula : C8H7NO5 Boiling Point : -
Linear Structure Formula :- InChI Key :CVZUPRDSNNBZLH-UHFFFAOYSA-N
M.W : 197.14 Pubchem ID :284163
Synonyms :

Calculated chemistry of [ 40751-89-1 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.12
Num. rotatable bonds : 3
Num. H-bond acceptors : 5.0
Num. H-bond donors : 1.0
Molar Refractivity : 48.72
TPSA : 92.35 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.53 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.93
Log Po/w (XLOGP3) : 1.37
Log Po/w (WLOGP) : 1.3
Log Po/w (MLOGP) : 0.3
Log Po/w (SILICOS-IT) : -0.9
Consensus Log Po/w : 0.6

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.04
Solubility : 1.78 mg/ml ; 0.00903 mol/l
Class : Soluble
Log S (Ali) : -2.91
Solubility : 0.241 mg/ml ; 0.00122 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.28
Solubility : 10.3 mg/ml ; 0.052 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.79

Safety of [ 40751-89-1 ]

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

Application In Synthesis of [ 40751-89-1 ]

* 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 [ 40751-89-1 ]

[ 40751-89-1 ] Synthesis Path-Downstream   1~85

  • 1
  • [ 64-17-5 ]
  • [ 40751-89-1 ]
  • [ 90923-08-3 ]
  • 2
  • [ 40751-89-1 ]
  • [ 935698-23-0 ]
  • 3
  • [ 40751-89-1 ]
  • 5-amino-2-hydroxy-<i>N</i>-(3-phenoxy-phenyl)-benzamide [ No CAS ]
  • 4
  • [ 40751-89-1 ]
  • 5-amino-2-hydroxy-<i>N</i>-(4-phenoxy-phenyl)-benzamide [ No CAS ]
  • 5
  • [ 40751-89-1 ]
  • 5-amino-2-methoxy-<i>N</i>-(3-phenoxy-phenyl)-benzamide [ No CAS ]
  • 6
  • [ 40751-89-1 ]
  • 2-methoxy-5-nitro-<i>N</i>-(3-phenoxy-phenyl)-benzamide [ No CAS ]
  • 7
  • [ 40751-89-1 ]
  • [ 935698-63-8 ]
  • 8
  • [ 40751-89-1 ]
  • <i>N</i>-[3-(hydroxy-phenyl-methyl)-phenyl]-2-methoxy-5-nitro-benzamide [ No CAS ]
  • 9
  • [ 40751-89-1 ]
  • 5-amino-2-hydroxy-<i>N</i>-[3-(hydroxy-phenyl-methyl)-phenyl]-benzamide [ No CAS ]
  • 10
  • [ 40751-89-1 ]
  • 5-amino-<i>N</i>-[3-(hydroxy-phenyl-methyl)-phenyl]-2-methoxy-benzamide [ No CAS ]
  • 11
  • [ 40751-89-1 ]
  • 2-hydroxy-<i>N</i>-[3-(hydroxy-phenyl-methyl)-phenyl]-5-nitro-benzamide [ No CAS ]
  • 12
  • [ 40751-89-1 ]
  • [ 935698-27-4 ]
  • 13
  • [ 40751-89-1 ]
  • 5-Amino-N-(3-diethylcarbamoyl-phenyl)-2-hydroxy-benzamide [ No CAS ]
  • 14
  • [ 40751-89-1 ]
  • [ 935698-16-1 ]
  • 15
  • [ 40751-89-1 ]
  • 5-amino-2-hydroxy-<i>N</i>-[3-(pyrrolidine-1-carbonyl)-phenyl]-benzamide [ No CAS ]
  • 16
  • [ 40751-89-1 ]
  • 5-acryloylamino-2-methoxy-<i>N</i>-(3-phenoxy-phenyl)-benzamide [ No CAS ]
  • 17
  • [ 40751-89-1 ]
  • [ 935698-42-3 ]
  • 18
  • [ 40751-89-1 ]
  • 2-hydroxy-<i>N</i>-(4-phenoxy-phenyl)-5-propionylamino-benzamide [ No CAS ]
  • 19
  • [ 40751-89-1 ]
  • 5-acryloylamino-2-hydroxy-<i>N</i>-(4-phenoxy-phenyl)-benzamide [ No CAS ]
  • 20
  • [ 40751-89-1 ]
  • 5-acryloylamino-2-hydroxy-<i>N</i>-(3-phenoxy-phenyl)-benzamide [ No CAS ]
  • 21
  • [ 40751-89-1 ]
  • [ 935698-44-5 ]
  • 22
  • [ 40751-89-1 ]
  • [ 935698-47-8 ]
  • 23
  • [ 40751-89-1 ]
  • 5-amino-2-hydroxy-<i>N</i>-[3-(piperidine-1-carbonyl)-phenyl]-benzamide [ No CAS ]
  • 24
  • [ 40751-89-1 ]
  • 5-acryloylamino-2-hydroxy-<i>N</i>-[3-(hydroxy-phenyl-methyl)-phenyl]-benzamide [ No CAS ]
  • 25
  • [ 40751-89-1 ]
  • 5-acryloylamino-<i>N</i>-[3-(hydroxy-phenyl-methyl)-phenyl]-2-methoxy-benzamide [ No CAS ]
  • 26
  • [ 40751-89-1 ]
  • 5-Acryloylamino-N-(3-diethylcarbamoyl-phenyl)-2-hydroxy-benzamide [ No CAS ]
  • 27
  • [ 40751-89-1 ]
  • N-(3-Diethylcarbamoyl-phenyl)-2-hydroxy-5-propionylamino-benzamide [ No CAS ]
  • 28
  • [ 40751-89-1 ]
  • [ 935698-49-0 ]
  • 29
  • [ 40751-89-1 ]
  • 5-acryloylamino-2-hydroxy-<i>N</i>-[3-(pyrrolidine-1-carbonyl)-phenyl]-benzamide [ No CAS ]
  • 30
  • [ 40751-89-1 ]
  • 5-acryloylamino-2-hydroxy-<i>N</i>-[3-(piperidine-1-carbonyl)-phenyl]-benzamide [ No CAS ]
  • 31
  • [ 40751-89-1 ]
  • [ 124071-10-9 ]
  • 32
  • [ 40751-89-1 ]
  • [ 599203-99-3 ]
  • 33
  • [ 40751-89-1 ]
  • <i>N</i>-(5-bromo-2-hydroxy-phenyl)-2-methoxy-5-nitro-benzamide [ No CAS ]
  • 34
  • [ 40751-89-1 ]
  • [ 599204-02-1 ]
  • 35
  • [ 40751-89-1 ]
  • [ 599204-03-2 ]
  • 36
  • [ 40751-89-1 ]
  • [ 599204-15-6 ]
  • 37
  • [ 40751-89-1 ]
  • [ 599204-18-9 ]
  • 38
  • [ 40751-89-1 ]
  • [ 599204-14-5 ]
  • 39
  • [ 40751-89-1 ]
  • [ 599204-17-8 ]
  • 40
  • [ 40751-89-1 ]
  • [ 697273-03-3 ]
  • 41
  • [ 40751-89-1 ]
  • [ 697273-00-0 ]
  • 42
  • [ 40751-89-1 ]
  • 2-[4-methoxy-5-[5-(4-chlorophenyl)benzoxazol-2-yl]phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid [ No CAS ]
  • 43
  • [ 40751-89-1 ]
  • 2-[4-methoxy-5-[5-(3,4-methylenedioxyphenyl)benzoxazol-2-yl]phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid [ No CAS ]
  • 44
  • [ 40751-89-1 ]
  • 2-[4-methoxy-5-[5-(3,5-difluorophenyl)benzoxazol-2-yl]phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid [ No CAS ]
  • 45
  • [ 40751-89-1 ]
  • 2-{4-methoxy-3-[5-(4-trifluoromethoxy-phenyl)-benzooxazol-2-yl]-phenyl}-1,3-dioxo-2,3-dihydro-1<i>H</i>-isoindole-5-carboxylic acid [ No CAS ]
  • 47
  • [ 40751-89-1 ]
  • [ 311770-75-9 ]
  • 49
  • [ 40751-89-1 ]
  • 2-ethylsulfanyl-3-[4-methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)-phenyl]-propionic acid [ No CAS ]
  • 51
  • [ 40751-89-1 ]
  • 3-[4-methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)-phenyl]-2-phenylsulfanyl-propionic acid [ No CAS ]
  • 52
  • [ 40751-89-1 ]
  • 2-benzylsulfanyl-3-[4-methoxy-3-(4-trifluoromethyl-benzylcarbamoyl)-phenyl]-propionic acid [ No CAS ]
  • 55
  • [ 40751-89-1 ]
  • [ 295800-31-6 ]
  • 56
  • [ 40751-89-1 ]
  • [ 295800-33-8 ]
  • 57
  • [ 40751-89-1 ]
  • [ 295800-32-7 ]
  • 58
  • [ 40751-89-1 ]
  • <i>N</i>-(1-butylcarbamoyl-2-methyl-propyl)-<i>N</i>'-{3-[<i>N</i>'-(2-isobutyrylamino-3-phenyl-propionyl)-hydrazinocarbonyl]-4-methoxy-phenyl}-oxalamide [ No CAS ]
  • 59
  • [ 40751-89-1 ]
  • [ 295800-35-0 ]
  • 60
  • [ 40751-89-1 ]
  • [ 223486-48-4 ]
  • 61
  • [ 40751-89-1 ]
  • [ 194025-90-6 ]
  • 62
  • [ 40751-89-1 ]
  • 2-methoxy-N-methyl-5-nitrobenzamide [ No CAS ]
  • 63
  • [ 40751-89-1 ]
  • 5-Isocyanato-2-methoxy-benzoic acid tert-butyl ester [ No CAS ]
  • 64
  • [ 40751-89-1 ]
  • [ 194025-89-3 ]
  • 66
  • [ 40751-89-1 ]
  • [ 194025-94-0 ]
  • 67
  • [ 40751-89-1 ]
  • 5-amino-2-methoxy-N-methylbenzamide [ No CAS ]
  • 68
  • [ 40751-89-1 ]
  • [ 194025-96-2 ]
  • 69
  • [ 40751-89-1 ]
  • [ 190248-66-9 ]
  • 70
  • [ 40751-89-1 ]
  • 5-Isocyanato-2-methoxy-benzoic acid benzyl ester [ No CAS ]
  • 71
  • [ 40751-89-1 ]
  • [ 190248-71-6 ]
  • 72
  • [ 40751-89-1 ]
  • [ 190248-65-8 ]
  • 73
  • [ 40751-89-1 ]
  • [ 190248-70-5 ]
  • 74
  • [ 40751-89-1 ]
  • 5-{N'-[5-(3,3-Diethyl-ureido)-2-methoxy-benzoyl]-hydrazino}-2-methoxy-N-methyl-benzamide [ No CAS ]
  • 75
  • [ 40751-89-1 ]
  • 5-{3-(2-Cyano-ethyl)-3-[2-(3-{(S)-1-[(S)-3-methyl-1-((1S,2S)-2-methyl-1-methylcarbamoyl-butylcarbamoyl)-butylcarbamoyl]-2-phenyl-ethyl}-1-phenyl-ureido)-ethyl]-ureido}-2-methoxy-benzoic acid [ No CAS ]
  • 76
  • [ 40751-89-1 ]
  • 5-{3-(2-Cyano-ethyl)-3-[2-(3-{(S)-1-[(S)-3-methyl-1-((1S,2S)-2-methyl-1-methylcarbamoyl-butylcarbamoyl)-butylcarbamoyl]-2-phenyl-ethyl}-1-phenyl-ureido)-ethyl]-ureido}-2-methoxy-benzoic acid benzyl ester [ No CAS ]
  • 77
  • [ 40751-89-1 ]
  • 5-[N'-(5-{3-(2-Cyano-ethyl)-3-[2-(3-{(S)-1-[(S)-3-methyl-1-((1S,2S)-2-methyl-1-methylcarbamoyl-butylcarbamoyl)-butylcarbamoyl]-2-phenyl-ethyl}-1-phenyl-ureido)-ethyl]-ureido}-2-methoxy-benzoyl)-hydrazino]-2-methoxy-N-methyl-benzamide [ No CAS ]
  • 78
  • [ 606-45-1 ]
  • [ 40751-89-1 ]
  • 79
  • [ 40751-89-1 ]
  • [ 115860-73-6 ]
  • 80
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  • [ 115860-79-2 ]
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  • [ 115860-80-5 ]
  • 82
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  • [ 115860-77-0 ]
  • 83
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  • [ 115860-78-1 ]
  • 84
  • [ 40751-89-1 ]
  • [ 23694-03-3 ]
  • 85
  • [ 40751-89-1 ]
  • [ 68255-81-2 ]
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