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[ CAS No. 50607-30-2 ] {[proInfo.proName]}

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Chemical Structure| 50607-30-2
Chemical Structure| 50607-30-2
Structure of 50607-30-2 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 50607-30-2 ]

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Product Details of [ 50607-30-2 ]

CAS No. :50607-30-2 MDL No. :MFCD08704814
Formula : C5H7NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :RDNZDMDLRIQQAX-UHFFFAOYSA-N
M.W : 113.11 Pubchem ID :10887863
Synonyms :

Calculated chemistry of [ 50607-30-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.6
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 31.15
TPSA : 46.17 ?2

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) : -7.57 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.68
Log Po/w (XLOGP3) : -0.81
Log Po/w (WLOGP) : -0.92
Log Po/w (MLOGP) : -0.89
Log Po/w (SILICOS-IT) : 0.96
Consensus Log Po/w : -0.2

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.03
Solubility : 105.0 mg/ml ; 0.931 mol/l
Class : Very soluble
Log S (Ali) : 0.32
Solubility : 236.0 mg/ml ; 2.09 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -1.04
Solubility : 10.3 mg/ml ; 0.0914 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 50607-30-2 ]

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 [ 50607-30-2 ]

* 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 [ 50607-30-2 ]

[ 50607-30-2 ] Synthesis Path-Downstream   1~21

  • 1
  • [ 74030-92-5 ]
  • [ 50607-30-2 ]
  • [ 74031-07-5 ]
  • 2
  • [ 99-61-6 ]
  • [ 14205-39-1 ]
  • [ 50607-30-2 ]
  • 3-carbomethoxy-2-methyl-5-oxo-4-(3-nitrophenyl)-1,4,5,6,7,8-hexahydro-pyrido<4,3-b>pyridine [ No CAS ]
  • 3
  • [ 99-61-6 ]
  • [ 41867-20-3 ]
  • [ 50607-30-2 ]
  • 3-carboethoxy-2-methyl-5-oxo-4-(3-nitrophenyl)-1,4,5,6,7,8-hexahydro-pyrido<4,3-b>pyridine [ No CAS ]
  • 4
  • [ 86-81-7 ]
  • [ 14205-39-1 ]
  • [ 50607-30-2 ]
  • 3-carbomethoxy-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-pyrido<4,3-b>pyridine [ No CAS ]
  • 5
  • [ 86-81-7 ]
  • [ 41867-20-3 ]
  • [ 50607-30-2 ]
  • 3-carboethoxy-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-pyrido<4,3-b>pyridine [ No CAS ]
  • 6
  • [ 86-81-7 ]
  • [ 24392-27-6 ]
  • [ 50607-30-2 ]
  • 3-N-methylaminocarbonyl-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-pyrido<4,3-b>pyridine [ No CAS ]
  • 7
  • [ 86-81-7 ]
  • (E)-3-Amino-but-2-enoic acid (2-hydroxy-ethyl)-amide [ No CAS ]
  • [ 50607-30-2 ]
  • 3-N-(2-hydroxyethyl)aminocarbonyl-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-pyrido<4,3-b>pyridine [ No CAS ]
  • 8
  • [ 86-81-7 ]
  • β-amino-N,N-diethylcrotonamide [ No CAS ]
  • [ 50607-30-2 ]
  • 3-N,N-diethylaminocarbonyl-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-pyrido<4,3-b>pyridine [ No CAS ]
  • 9
  • [ 14205-39-1 ]
  • [ 6334-18-5 ]
  • [ 50607-30-2 ]
  • 3-carbomethoxy-2-methyl-5-oxo-4-(2,3-dichlorophenyl)-1,4,5,6,7,8-hexahydro-pyrido<4,3-b>pyridine [ No CAS ]
  • 10
  • [ 14205-39-1 ]
  • [ 100-10-7 ]
  • [ 50607-30-2 ]
  • 3-carbomethoxy-2-methyl-5-oxo-4-(4-N-dimethylaminophenyl)-1,4,5,6,7,8-hexahydro-pyrido<4,3-b>pyridine [ No CAS ]
  • 11
  • [ 14205-39-1 ]
  • [ 552-89-6 ]
  • [ 50607-30-2 ]
  • 3-carbomethoxy-2-methyl-5-oxo-4-(2-nitrophenyl)-1,4,5,6,7,8-hexahydro-pyrido<4,3-b>pyridine [ No CAS ]
  • 12
  • [ 6628-86-0 ]
  • [ 14205-39-1 ]
  • [ 50607-30-2 ]
  • 3-carbomethoxy-2-methyl-5-oxo-4-(2-nitro-5-chlorophenyl)-1,4,5,6,7,8-hexahydro-pyrido<4,3-b>pyridine [ No CAS ]
  • 13
  • [ 14205-39-1 ]
  • [ 157701-72-9 ]
  • [ 50607-30-2 ]
  • 3-carbomethoxy-2-methyl-5-oxo-4-(2-fluoro-4-nitrophenyl)-1,4,5,6,7,8-hexahydro-pyrido<4,3-b>pyridine [ No CAS ]
  • 14
  • [ 41867-20-3 ]
  • [ 6334-18-5 ]
  • [ 50607-30-2 ]
  • 3-carboethoxy-2-methyl-5-oxo-4-(2,3-dichlorophenyl)-1,4,5,6,7,8-hexahydro-pyrido<4,3-b>pyridine [ No CAS ]
  • 15
  • [ 41867-20-3 ]
  • [ 552-89-6 ]
  • [ 50607-30-2 ]
  • 3-carboethoxy-2-methyl-5-oxo-4-(2-nitrophenyl)-1,4,5,6,7,8-hexahydro-pyrido<4,3-b>pyridine [ No CAS ]
  • 16
  • [ 39562-27-1 ]
  • [ 50607-30-2 ]
  • 3-carbomethoxy-2-methyl-5-oxo-4-(2-nitrophenyl)-1,4,5,6,7,8-hexahydro-pyrido<4,3-b>pyridine [ No CAS ]
  • 17
  • [ 89159-00-2 ]
  • [ 50607-30-2 ]
  • 5-(6-Oxo-1,2,3,6-tetrahydro-pyridin-4-ylamino)-1-pentyl-1H-pyrazole-4-carbonitrile [ No CAS ]
  • 18
  • [ 77771-02-9 ]
  • [ 265321-06-0 ]
  • [ 50607-30-2 ]
  • 10-(3-bromo-4-fluorophenyl)-3,4,6,10-tetrahydro-2H-pyrano[3,4-b][1,6]naphthyridine-1,9(5H,8H)-dione [ No CAS ]
  • 19
  • [ 5220-49-5 ]
  • [ 77771-02-9 ]
  • [ 50607-30-2 ]
  • 10-(3-bromo-4-fluoro-phenyl)-3,4,6,7,8,10-hexahydro-2<i>H</i>,5<i>H</i>-benzo[<i>b</i>][1,6]naphthyridine-1,9-dione [ No CAS ]
  • 20
  • [ 28566-12-3 ]
  • [ 77771-02-9 ]
  • [ 50607-30-2 ]
  • 9-(3-bromo-4-fluoro-phenyl)-3,4,5,6,7,9-hexahydro-2<i>H</i>-cyclopenta[<i>b</i>][1,6]naphthyridine-1,8-dione [ No CAS ]
  • 21
  • [ 77771-02-9 ]
  • [ 50607-30-2 ]
  • 9-(3-bromo-4-fluoro-phenyl)-3,4,6,7,9,10-hexahydro-2<i>H</i>,5<i>H</i>-2,7,10-triaza-anthracene-1,8-dione [ No CAS ]
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