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[ CAS No. 50709-35-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 50709-35-8
Chemical Structure| 50709-35-8
Structure of 50709-35-8 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 50709-35-8 ]

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Product Details of [ 50709-35-8 ]

CAS No. :50709-35-8 MDL No. :MFCD00052266
Formula : C6H7Cl3N2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :RQZTURFFWSJCMT-UHFFFAOYSA-N
M.W : 213.49 Pubchem ID :3084937
Synonyms :

Calculated chemistry of [ 50709-35-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 2.0
Molar Refractivity : 50.63
TPSA : 38.05 ?2

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) : -5.32 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 3.22
Log Po/w (WLOGP) : 2.89
Log Po/w (MLOGP) : 2.88
Log Po/w (SILICOS-IT) : 1.64
Consensus Log Po/w : 2.13

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.53
Solubility : 0.063 mg/ml ; 0.000295 mol/l
Class : Soluble
Log S (Ali) : -3.69
Solubility : 0.0434 mg/ml ; 0.000203 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.32
Solubility : 0.102 mg/ml ; 0.00048 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.73

Safety of [ 50709-35-8 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3261
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 50709-35-8 ]

* 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 [ 50709-35-8 ]

[ 50709-35-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 17823-69-7 ]
  • [ 50709-35-8 ]
  • 5-amino-4-carboxamido-1-(2,5-dichlorophenyl)-3-(methylthio)pyrazole [ No CAS ]
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