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[ CAS No. 932-22-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 932-22-9
Chemical Structure| 932-22-9
Structure of 932-22-9 * Storage: {[proInfo.prStorage]}

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Product Details of [ 932-22-9 ]

CAS No. :932-22-9 MDL No. :MFCD00051504
Formula : C4H2Cl2N2O Boiling Point : No data available
Linear Structure Formula :- InChI Key :VJWXIRQLLGYIDI-UHFFFAOYSA-N
M.W : 164.98 Pubchem ID :73247
Synonyms :

Calculated chemistry of [ 932-22-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 34.88
TPSA : 45.75 ?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) : -6.62 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.12
Log Po/w (XLOGP3) : 0.96
Log Po/w (WLOGP) : 1.08
Log Po/w (MLOGP) : 1.05
Log Po/w (SILICOS-IT) : 2.5
Consensus Log Po/w : 1.34

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.96
Solubility : 1.8 mg/ml ; 0.0109 mol/l
Class : Very soluble
Log S (Ali) : -1.51
Solubility : 5.12 mg/ml ; 0.031 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.78
Solubility : 0.272 mg/ml ; 0.00165 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.58

Safety of [ 932-22-9 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338 UN#:
Hazard Statements:H302 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 932-22-9 ]

* 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.

  • Upstream synthesis route of [ 932-22-9 ]

[ 932-22-9 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 932-22-9 ]
  • [ 55271-46-0 ]
Reference: [1] Chemistry Letters, 2001, # 1, p. 54 - 55
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