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Chemistry
Organic Building Blocks
Pyrazoles
bromo-methyl-pyrazole
5-(4-Bromophenyl)-1-methyl-1H-pyrazole
Chemistry
Organic Building Blocks
Heterocyclic Building Blocks
Pyrazoles
Aryls Bromides Benzene Compounds
bromo-methyl-pyrazole
1-methyl-5-phenyl-1H-pyrazole bromophenyl

[ CAS No. 73387-52-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 73387-52-7
Chemical Structure| 73387-52-7
Structure of 73387-52-7 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 73387-52-7 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 73387-52-7 ]

SDS Specification
Alternatived Products of [ 73387-52-7 ]
Product Citations

Product Details of [ 73387-52-7 ]

CAS No. :73387-52-7 MDL No. :MFCD10699189
Formula : C10H9BrN2 Boiling Point : -
Linear Structure Formula :- InChI Key :CVCDEENQBMSJCX-UHFFFAOYSA-N
M.W : 237.10 Pubchem ID :12581092
Synonyms :

Calculated chemistry of [ 73387-52-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 11
Fraction Csp3 : 0.1
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 56.63
TPSA : 17.82 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.91 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.33
Log Po/w (XLOGP3) : 2.59
Log Po/w (WLOGP) : 2.85
Log Po/w (MLOGP) : 2.47
Log Po/w (SILICOS-IT) : 2.65
Consensus Log Po/w : 2.58

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.5
Solubility : 0.0747 mg/ml ; 0.000315 mol/l
Class : Soluble
Log S (Ali) : -2.61
Solubility : 0.578 mg/ml ; 0.00244 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.17
Solubility : 0.0159 mg/ml ; 0.0000671 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.7

Safety of [ 73387-52-7 ]

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:

Tags: 73387-52-7 synthesis path| 73387-52-7 SDS| 73387-52-7 COA| 73387-52-7 purity| 73387-52-7 application| 73387-52-7 NMR| 73387-52-7 COA| 73387-52-7 structure

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Isomers
Categories
Chemistry
Heterocyclic Building Blocks
Pyrazoles
1-methyl-5-phenyl-1H-pyrazole
Chemistry
Heterocyclic Building Blocks
Pyrazoles
bromo-methyl-pyrazole
Chemistry
Organic Building Blocks
Benzene Compounds
bromophenyl
Chemistry
Organic Building Blocks
Bromides
bromo-methyl-pyrazole
Chemistry
Organic Building Blocks
Aryls

Technical Information

• Alkyl Halide Occurrence • Benzylic Oxidation • Birch Reduction • Blanc Chloromethylation • Friedel-Crafts Reaction • General Reactivity • Grignard Reaction • Hiyama Cross-Coupling Reaction • Hydrogenolysis of Benzyl Ether • Kinetics of Alkyl Halides • Kumada Cross-Coupling Reaction • Preparation of Alkylbenzene • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions of Dihalides • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling • Vilsmeier-Haack Reaction
Historical Records

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