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Chemistry
Heterocyclic Building Blocks
Imidazoles
3,6-Dichloroimidazo[1,2-b]pyridazine
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Imidazoles
Pyridazines Chlorides Other Aromatic Heterocycles

[ CAS No. 40972-42-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 40972-42-7
Chemical Structure| 40972-42-7
Structure of 40972-42-7 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 40972-42-7 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification
Alternatived Products of [ 40972-42-7 ]
Product Citations

Product Details of [ 40972-42-7 ]

CAS No. :40972-42-7 MDL No. :MFCD11520887
Formula : C6H3Cl2N3 Boiling Point : No data available
Linear Structure Formula :- InChI Key :XBVAHZQOAPNIQY-UHFFFAOYSA-N
M.W : 188.01 Pubchem ID :15271014
Synonyms :

Calculated chemistry of [ 40972-42-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 43.01
TPSA : 30.19 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.85 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.82
Log Po/w (XLOGP3) : 2.25
Log Po/w (WLOGP) : 2.04
Log Po/w (MLOGP) : 1.78
Log Po/w (SILICOS-IT) : 1.77
Consensus Log Po/w : 1.93

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.03
Solubility : 0.176 mg/ml ; 0.000936 mol/l
Class : Soluble
Log S (Ali) : -2.52
Solubility : 0.568 mg/ml ; 0.00302 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.95
Solubility : 0.212 mg/ml ; 0.00113 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.11

Safety of [ 40972-42-7 ]

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

Tags: 40972-42-7 synthesis path| 40972-42-7 SDS| 40972-42-7 COA| 40972-42-7 purity| 40972-42-7 application| 40972-42-7 NMR| 40972-42-7 COA| 40972-42-7 structure

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Chemistry
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Chlorides

Technical Information

• Alkyl Halide Occurrence • General Reactivity • Grignard Reaction • Hiyama Cross-Coupling Reaction • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling
Historical Records

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[ 40972-42-7 ]

Chlorides

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