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[ CAS No. 6203-18-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 6203-18-5
Chemical Structure| 6203-18-5
Structure of 6203-18-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 6203-18-5 ]

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Product Citations

Product Details of [ 6203-18-5 ]

CAS No. :6203-18-5 MDL No. :MFCD00007002
Formula : C11H13NO Boiling Point : No data available
Linear Structure Formula :CHOCHCHC6H4N(CH3)2 InChI Key :RUKJCCIJLIMGEP-ONEGZZNKSA-N
M.W : 175.23 Pubchem ID :5284506
Synonyms :
Chemical Name :4-(Dimethylamino)cinnamaldehyde

Calculated chemistry of [ 6203-18-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.18
Num. rotatable bonds : 3
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 55.75
TPSA : 20.31 ?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) : -5.74 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.97
Log Po/w (XLOGP3) : 2.3
Log Po/w (WLOGP) : 1.86
Log Po/w (MLOGP) : 1.95
Log Po/w (SILICOS-IT) : 2.09
Consensus Log Po/w : 2.03

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.52
Solubility : 0.53 mg/ml ; 0.00303 mol/l
Class : Soluble
Log S (Ali) : -2.36
Solubility : 0.757 mg/ml ; 0.00432 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.54
Solubility : 0.502 mg/ml ; 0.00286 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.7

Safety of [ 6203-18-5 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 6203-18-5 ]

* 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 [ 6203-18-5 ]

[ 6203-18-5 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 13214-64-7 ]
  • [ 6203-18-5 ]
  • [ 110194-33-7 ]
  • 2
  • [ 92138-20-0 ]
  • [ 6203-18-5 ]
  • [ 1004513-26-1 ]
  • 3
  • [ 80041-89-0 ]
  • 1-diazo-3,7-dimethylocta-2,6-diene [ No CAS ]
  • [ 6203-18-5 ]
  • C24H37NO [ No CAS ]
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Technical Information

? Baeyer-Villiger Oxidation ? Barbier Coupling Reaction ? Baylis-Hillman Reaction ? Benzylic Oxidation ? Birch Reduction ? Blanc Chloromethylation ? Bucherer-Bergs Reaction ? Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions ? Chan-Lam Coupling Reaction ? Clemmensen Reduction ? Complex Metal Hydride Reductions ? Corey-Bakshi-Shibata (CBS) Reduction ? Corey-Chaykovsky Reaction ? Corey-Fuchs Reaction ? Fischer Indole Synthesis ? Friedel-Crafts Reaction ? Grignard Reaction ? Hantzsch Dihydropyridine Synthesis ? Henry Nitroaldol Reaction ? Horner-Wadsworth-Emmons Reaction ? Hydride Reductions ? Hydrogenolysis of Benzyl Ether ? Julia-Kocienski Olefination ? Knoevenagel Condensation ? Lawesson's Reagent ? Leuckart-Wallach Reaction ? Mannich Reaction ? McMurry Coupling ? Meerwein-Ponndorf-Verley Reduction ? Mukaiyama Aldol Reaction ? Nozaki-Hiyama-Kishi Reaction ? Passerini Reaction ? Paternò-Büchi Reaction ? Petasis Reaction ? Peterson Olefination ? Pictet-Spengler Tetrahydroisoquinoline Synthesis ? Preparation of Aldehydes and Ketones ? Preparation of Alkylbenzene ? Preparation of Amines ? Prins Reaction ? Reactions of Aldehydes and Ketones ? Reactions of Amines ? Reactions of Benzene and Substituted Benzenes ? Reformatsky Reaction ? Robinson Annulation ? Schlosser Modification of the Wittig Reaction ? Schmidt Reaction ? Specialized Acylation Reagents-Ketenes ? Specialized Acylation Reagents-Vilsmeier Reagent ? Stetter Reaction ? Stobbe Condensation ? Tebbe Olefination ? Ugi Reaction ? Vilsmeier-Haack Reaction ? Wittig Reaction ? Wolff-Kishner Reduction
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