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[ CAS No. 6334-18-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 6334-18-5
Chemical Structure| 6334-18-5
Structure of 6334-18-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 6334-18-5 ]

Related Doc. of [ 6334-18-5 ]

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Product Citations

Product Details of [ 6334-18-5 ]

CAS No. :6334-18-5 MDL No. :MFCD00010127
Formula : C7H4Cl2O Boiling Point : -
Linear Structure Formula :(Cl)2C6H3CHO InChI Key :LLMLNAVBOAMOEE-UHFFFAOYSA-N
M.W : 175.01 Pubchem ID :35745
Synonyms :

Calculated chemistry of [ 6334-18-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 41.85
TPSA : 17.07 ?2

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) : -5.27 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.77
Log Po/w (XLOGP3) : 2.96
Log Po/w (WLOGP) : 2.81
Log Po/w (MLOGP) : 2.63
Log Po/w (SILICOS-IT) : 3.26
Consensus Log Po/w : 2.69

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.17
Solubility : 0.119 mg/ml ; 0.000679 mol/l
Class : Soluble
Log S (Ali) : -2.98
Solubility : 0.183 mg/ml ; 0.00104 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.57
Solubility : 0.0467 mg/ml ; 0.000267 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.12

Safety of [ 6334-18-5 ]

Signal Word:Danger Class:8
Precautionary Statements:P273-P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310 UN#:1759
Hazard Statements:H314-H412 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 6334-18-5 ]

* 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 [ 6334-18-5 ]

[ 6334-18-5 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 22259-53-6 ]
  • [ 6334-18-5 ]
  • [1-(2,3-Dichloro-phenyl)-meth-(E)-ylidene]-(1H-indol-3-ylmethyl)-amine [ No CAS ]
  • 2
  • [ 14205-39-1 ]
  • [ 6334-18-5 ]
  • [ 50607-30-2 ]
  • 3-carbomethoxy-2-methyl-5-oxo-4-(2,3-dichlorophenyl)-1,4,5,6,7,8-hexahydro-pyrido<4,3-b>pyridine [ No CAS ]
  • 3
  • [ 41867-20-3 ]
  • [ 6334-18-5 ]
  • [ 50607-30-2 ]
  • 3-carboethoxy-2-methyl-5-oxo-4-(2,3-dichlorophenyl)-1,4,5,6,7,8-hexahydro-pyrido<4,3-b>pyridine [ No CAS ]
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Technical Information

? Alkyl Halide Occurrence ? Arndt-Eistert Homologation ? Barbier Coupling Reaction ? Baylis-Hillman Reaction ? Benzylic Oxidation ? Birch Reduction ? Blanc Chloromethylation ? Bucherer-Bergs Reaction ? Clemmensen Reduction ? Complex Metal Hydride Reductions ? Corey-Chaykovsky Reaction ? Corey-Fuchs Reaction ? Fischer Indole Synthesis ? Friedel-Crafts Reaction ? General Reactivity ? Grignard Reaction ? Hantzsch Dihydropyridine Synthesis ? Henry Nitroaldol Reaction ? Hiyama Cross-Coupling Reaction ? Horner-Wadsworth-Emmons Reaction ? Hunsdiecker-Borodin Reaction ? Hydride Reductions ? Hydrogenolysis of Benzyl Ether ? Julia-Kocienski Olefination ? Kinetics of Alkyl Halides ? Knoevenagel Condensation ? Kumada Cross-Coupling Reaction ? Leuckart-Wallach Reaction ? McMurry Coupling ? Meerwein-Ponndorf-Verley Reduction ? Mukaiyama Aldol Reaction ? Nozaki-Hiyama-Kishi Reaction ? Passerini Reaction ? Paternò-Büchi Reaction ? Petasis Reaction ? Pictet-Spengler Tetrahydroisoquinoline Synthesis ? Preparation of Aldehydes and Ketones ? Preparation of Alkylbenzene ? Preparation of Amines ? Preparation of Carboxylic Acids ? Prins Reaction ? Reactions of Aldehydes and Ketones ? Reactions of Alkyl Halides with Reducing Metals ? Reactions of Amines ? Reactions of Benzene and Substituted Benzenes ? Reactions of Carboxylic Acids ? Reformatsky Reaction ? Schlosser Modification of the Wittig Reaction ? Schmidt Reaction ? Specialized Acylation Reagents-Ketenes ? Stetter Reaction ? Stille Coupling ? Stobbe Condensation ? Substitution and Elimination Reactions of Alkyl Halides ? Suzuki Coupling ? Tebbe Olefination ? Ugi Reaction ? Vilsmeier-Haack Reaction ? Wittig Reaction ? Wolff-Kishner Reduction
Historical Records

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