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Chemistry
Heterocyclic Building Blocks
Piperidines
5,7,8-trimethylchromane
1,3-Dichloro-2,5-difluorobenzene
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Piperidines
Benzimidazoles Benzofurans Aryls Chlorides Fluorinated Building Blocks Benzene Compounds
5,7,8-trimethylchromane
1-ethyl-1H-benzo[d]imidazole benzyl 4-oxopiperidine-1-carboxylate

[ CAS No. 2367-80-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2367-80-8
Chemical Structure| 2367-80-8
Structure of 2367-80-8 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 2367-80-8 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 2367-80-8 ]

SDS Specification
Alternatived Products of [ 2367-80-8 ]
Product Citations

Product Details of [ 2367-80-8 ]

CAS No. :2367-80-8 MDL No. :MFCD06658263
Formula : C6H2Cl2F2 Boiling Point : -
Linear Structure Formula :- InChI Key :XPBKEVCFKWTLHO-UHFFFAOYSA-N
M.W : 182.98 Pubchem ID :137560
Synonyms :

Calculated chemistry of [ 2367-80-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 36.38
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
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) : -5.02 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.11
Log Po/w (XLOGP3) : 3.38
Log Po/w (WLOGP) : 4.11
Log Po/w (MLOGP) : 4.33
Log Po/w (SILICOS-IT) : 3.98
Consensus Log Po/w : 3.58

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.55
Solubility : 0.0518 mg/ml ; 0.000283 mol/l
Class : Soluble
Log S (Ali) : -3.06
Solubility : 0.16 mg/ml ; 0.000874 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.19
Solubility : 0.0119 mg/ml ; 0.0000649 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.88

Safety of [ 2367-80-8 ]

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: 2367-80-8 synthesis path| 2367-80-8 SDS| 2367-80-8 COA| 2367-80-8 purity| 2367-80-8 application| 2367-80-8 NMR| 2367-80-8 COA| 2367-80-8 structure

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Isomers
Categories
Chemistry
Heterocyclic Building Blocks
Benzimidazoles
1-ethyl-1H-benzo[d]imidazole
Chemistry
Heterocyclic Building Blocks
Benzofurans
5,7,8-trimethylchromane
Chemistry
Heterocyclic Building Blocks
Piperidines
benzyl 4-oxopiperidine-1-carboxylate
Chemistry
Organic Building Blocks
Aryls
Chemistry
Organic Building Blocks
Benzene Compounds
Chemistry
Organic Building Blocks
Chlorides
Chemistry
Organic Building Blocks
Fluorinated Building Blocks

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 • Stille Coupling • Substitution and Elimination Reactions of Alkyl Halides • Suzuki Coupling • Vilsmeier-Haack Reaction
Historical Records

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