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[ CAS No. 124-22-1 ] {[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| 124-22-1
Chemical Structure| 124-22-1
Structure of 124-22-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 124-22-1 ]

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Product Details of [ 124-22-1 ]

CAS No. :124-22-1 MDL No. :MFCD00008154
Formula : C12H27N Boiling Point : -
Linear Structure Formula :- InChI Key :JRBPAEWTRLWTQC-UHFFFAOYSA-N
M.W : 185.35 Pubchem ID :13583
Synonyms :

Calculated chemistry of [ 124-22-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 10
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 62.51
TPSA : 26.02 ?2

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) : -6.69 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.5
Log Po/w (XLOGP3) : 1.05
Log Po/w (WLOGP) : 3.87
Log Po/w (MLOGP) : 3.41
Log Po/w (SILICOS-IT) : 3.65
Consensus Log Po/w : 3.1

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.99
Solubility : 18.9 mg/ml ; 0.102 mol/l
Class : Very soluble
Log S (Ali) : -1.19
Solubility : 12.0 mg/ml ; 0.065 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -4.36
Solubility : 0.00807 mg/ml ; 0.0000436 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 1.64

Safety of [ 124-22-1 ]

Signal Word:Danger Class:8
Precautionary Statements:P261-P273-P280-P301+P310-P305+P351+P338-P310 UN#:3259
Hazard Statements:H304-H314-H335-H373-H410 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 124-22-1 ]

* 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 [ 124-22-1 ]

[ 124-22-1 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 124-22-1 ]
  • [ 589-10-6 ]
  • [ 538-71-6 ]
  • 2
  • [ 124-22-1 ]
  • [ 40724-47-8 ]
  • 4-dodecylaminomethyl-benzenesulfonic acid amide [ No CAS ]
  • 3
  • [ 124-22-1 ]
  • [ 57-92-1 ]
  • [ 56222-71-0 ]
  • 4
  • [ 124-22-1 ]
  • [ 475-11-6 ]
  • (2S)-N-dodecyl-1-methylpyrrolidine-2-carboxamide [ No CAS ]
  • 5
  • [ 124-22-1 ]
  • [ 1173074-49-1 ]
  • [ 29390-67-8 ]
  • [ 1173074-54-8 ]
  • [ 1173074-57-1 ]
  • 7
  • [ 124-22-1 ]
  • [ 546-43-0 ]
  • [ 1245719-13-4 ]
  • 8
  • [ 1122-12-9 ]
  • [ 124-22-1 ]
  • 3,4-dibromo-1-dodecylpyrrole-2,5-dione [ No CAS ]
  • 9
  • [ 124-22-1 ]
  • [ 148332-36-9 ]
  • N-dodecyl[2,2':6',2''-terpyridine]4'-carboxamide [ No CAS ]
  • 10
  • [ 124-22-1 ]
  • [ 128-69-8 ]
  • [ 851786-15-7 ]
  • N,N'-bis(2-ethylhexyl)-1,6-dibromoperylene-3,4:9,10-tetracarboxylic acid diimide [ No CAS ]
  • N,N'-bis(2-ethylhexyl)-1,6,7-tribromoperylene-3,4:9,10-tetracarboxylic acid diimide [ No CAS ]
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