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Chemistry
Organic Building Blocks
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Acetic Acids
4-Bromo-3,5-difluorophenylacetic acid
Chemistry
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Aryls
Bromides Fluorinated Building Blocks Carboxylic Acids Phenols Benzene Compounds
Acetic Acids
bromophenylacetic acid fluorobenzene difluorophenylacetic 2-(3-fluorophenyl)acetic acid bromobenzene 2-bromo-1,3-difluorobenzene difluorophenylacetic acid benzyl

[ CAS No. 1782832-99-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1782832-99-8
Chemical Structure| 1782832-99-8
Chemical Structure| 1782832-99-8
Structure of 1782832-99-8 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 1782832-99-8 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification
Alternatived Products of [ 1782832-99-8 ]
Product Citations

Product Details of [ 1782832-99-8 ]

CAS No. :1782832-99-8 MDL No. :MFCD28738308
Formula : C8H5BrF2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :FENXBFUKGKJYMX-UHFFFAOYSA-N
M.W : 251.02 Pubchem ID :44184936
Synonyms :

Calculated chemistry of [ 1782832-99-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.12
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 45.6
TPSA : 37.3 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) : -6.21 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.72
Log Po/w (XLOGP3) : 2.28
Log Po/w (WLOGP) : 3.19
Log Po/w (MLOGP) : 3.24
Log Po/w (SILICOS-IT) : 3.08
Consensus Log Po/w : 2.7

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -3.04
Solubility : 0.228 mg/ml ; 0.000907 mol/l
Class : Soluble
Log S (Ali) : -2.7
Solubility : 0.5 mg/ml ; 0.00199 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.59
Solubility : 0.0642 mg/ml ; 0.000256 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.68

Safety of [ 1782832-99-8 ]

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: 1782832-99-8 synthesis path| 1782832-99-8 SDS| 1782832-99-8 COA| 1782832-99-8 purity| 1782832-99-8 application| 1782832-99-8 NMR| 1782832-99-8 COA| 1782832-99-8 structure

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Categories
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Benzene Compounds
benzyl
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Benzene Compounds
bromobenzene
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Bromides
2-bromo-1,3-difluorobenzene
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bromobenzene
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bromophenylacetic acid
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Carboxylic Acids
2-(3-fluorophenyl)acetic acid
Chemistry
Organic Building Blocks
Carboxylic Acids
Acetic Acids
Chemistry
Organic Building Blocks
Carboxylic Acids
bromophenylacetic acid
Chemistry
Organic Building Blocks
Carboxylic Acids
difluorophenylacetic
Chemistry
Organic Building Blocks
Carboxylic Acids
difluorophenylacetic acid
Chemistry
Organic Building Blocks
Fluorinated Building Blocks
2-(3-fluorophenyl)acetic acid
Chemistry
Organic Building Blocks
Fluorinated Building Blocks
2-bromo-1,3-difluorobenzene
Chemistry
Organic Building Blocks
Fluorinated Building Blocks
difluorophenylacetic acid
Chemistry
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Fluorinated Building Blocks
fluorobenzene
Chemistry
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Aryls
Chemistry
Organic Building Blocks
Phenols

Technical Information

• Acid-Catalyzed α -Halogenation of Ketones • Acidity of Phenols • Acids Combine with Acyl Halides to Produce Anhydrides • Acyl Chloride Hydrolysis • Addition of a Hydrogen Halide to an Internal Alkyne • Alcohols from Haloalkanes by Acetate Substitution-Hydrolysis • Alcohols React with PX3 • Alkyl Halide Occurrence • Alkylation of an Alkynyl Anion • Amide Hydrolysis • Amide Hydrolysis • An Alkane are Prepared from an Haloalkane • Anhydride Hydrolysis • Arndt-Eistert Homologation • Benzylic Oxidation • Birch Reduction • Birch Reduction of Benzene • Blanc Chloromethylation • Carbonation of Organometallics • Carboxylate Salt Formation • Carboxylic Acids React with Alcohols to Form Esters • Chan-Lam Coupling Reaction • Complete Benzylic Oxidations of Alkyl Chains • Complete Benzylic Oxidations of Alkyl Chains • Conjugate Additions of p-Benzoquinones • Conversion of Amino with Nitro • Convert Haloalkanes into Alcohols by SN2 • Decarboxylation of Substituted Propanedioic • Decomposition of Arenediazonium Salts to Give Phenols • Deprotection of Cbz-Amino Acids • Deprotonation of Methylbenzene • Diazo Coupling • Directing Electron-Donating Effects of Alkyl • Electrophilic Chloromethylation of Polystyrene • Electrophilic Substitution of the Phenol Aromatic Ring • Esters Hydrolyze to Carboxylic Acids and Alcohols • Etherification Reaction of Phenolic Hydroxyl Group • Formation of an Amide from an Amine and a Carboxylic Acid • Formation of an Amide from an Amine and a Carboxylic Acid • Friedel-Crafts Alkylation of Benzene with Acyl Chlorides • Friedel-Crafts Alkylation of Benzene with Carboxylic Anhydrides • Friedel-Crafts Alkylation of Benzene with Haloalkanes • Friedel-Crafts Alkylation Using Alkenes • Friedel-Crafts Alkylations of Benzene Using Alkenes • Friedel-Crafts Alkylations Using Alcohols • Friedel-Crafts Reaction • General Reactivity • Grignard Reaction • Groups that Withdraw Electrons Inductively Are Deactivating and Meta Directing • Halogenation of Alkenes • Halogenation of Benzene • Halogenation of Phenols • Hiyama Cross-Coupling Reaction • Hunsdiecker-Borodin Reaction • Hydrogenation to Cyclohexane • Hydrogenolysis of Benzyl Ether • Kinetics of Alkyl Halides • Kolbe-Schmitt Reaction • Kumada Cross-Coupling Reaction • Methylation of Ammonia • Methylation of Ammonia • Nitration of Benzene • Nitriles Hydrolyze to Carboxylic Acids • Nucleophilic Aromatic Substitution • Nucleophilic Aromatic Substitution with Amine • Oxidation of Aldehydes Furnishes Carboxylic Acids • Oxidation of Alkyl-substituted Benzenes Gives Aromatic Ketones • Oxidation of Phenols • Oxidation of Primary Alcohols Furnishes Carboxylic Acids • Passerini Reaction • Pechmann Coumarin Synthesis • Peptide Bond Formation with DCC • Periodic Acid Degradation of Sugars • Preparation of Aldehydes and Ketones • Preparation of Alkylbenzene • Preparation of Amines • Preparation of Carboxylic Acids • Reactions of Alkyl Halides with Reducing Metals • Reactions of Amines • Reactions of Benzene and Substituted Benzenes • Reactions of Carboxylic Acids • Reactions of Dihalides • Reduction of Carboxylic Acids by LiAlH4 • Reduction of Carboxylic Acids by Lithium Aluminum Hydride • Reduction of Carboxylic Acids by Lithium Aluminum Hydride • Reductive Removal of a Diazonium Group • Reimer-Tiemann Reaction • Reverse Sulfonation——Hydrolysis • Schmidt Reaction • Specialized Acylation Reagents-Ketenes • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Sulfonation of Benzene • Suzuki Coupling • The Acylium Ion Attack Benzene to Form Phenyl Ketones • The Claisen Rearrangement • The Conversion of Carboxylic Acids into Acyl Halides • The Nitro Group Conver to the Amino Function • Ugi Reaction • Vilsmeier-Haack Reaction • Williamson Ether Syntheses
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; ;