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Chemistry
Heterocyclic Building Blocks
Pyridazines
dimethylpyridazine
6-Chloro-2,5-dimethylpyridazin-3(2H)-one
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Pyridazines
Chlorides Amides Ketones
dimethylpyridazine
2-methylpyridazin-3(2H)-one

[ CAS No. 1114563-59-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1114563-59-5
Chemical Structure| 1114563-59-5
Chemical Structure| 1114563-59-5
Structure of 1114563-59-5 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 1114563-59-5 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1114563-59-5 ]

SDS Specification
Alternatived Products of [ 1114563-59-5 ]

Product Details of [ 1114563-59-5 ]

CAS No. :1114563-59-5 MDL No. :MFCD27923628
Formula : C6H7ClN2O Boiling Point : -
Linear Structure Formula :- InChI Key :ROTULOMPEFVIJR-UHFFFAOYSA-N
M.W : 158.59 Pubchem ID :58109329
Synonyms :

Calculated chemistry of [ 1114563-59-5 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 39.73
TPSA : 34.89 Ų

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) : -6.64 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.81
Log Po/w (XLOGP3) : 0.89
Log Po/w (WLOGP) : 0.74
Log Po/w (MLOGP) : 1.14
Log Po/w (SILICOS-IT) : 1.51
Consensus Log Po/w : 1.22

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.83
Solubility : 2.36 mg/ml ; 0.0149 mol/l
Class : Very soluble
Log S (Ali) : -1.21
Solubility : 9.84 mg/ml ; 0.062 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.11
Solubility : 1.23 mg/ml ; 0.00773 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.94

Safety of [ 1114563-59-5 ]

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 [ 1114563-59-5 ]

* 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 [ 1114563-59-5 ]

[ 1114563-59-5 ] Synthesis Path-Downstream   1~1

Tags: 1114563-59-5 synthesis path| 1114563-59-5 SDS| 1114563-59-5 COA| 1114563-59-5 purity| 1114563-59-5 application| 1114563-59-5 NMR| 1114563-59-5 COA| 1114563-59-5 structure

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Categories
Chemistry
Heterocyclic Building Blocks
Pyridazines
dimethylpyridazine
Chemistry
Organic Building Blocks
Ketones
2-methylpyridazin-3(2H)-one
Chemistry
Heterocyclic Building Blocks
Pyridazines
2-methylpyridazin-3(2H)-one
Chemistry
Organic Building Blocks
Chlorides
Chemistry
Organic Building Blocks
Amides
Historical Records

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[ 1114563-59-5 ]

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