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[ CAS No. 1667-10-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Type HazMat fee for 500 gram (Estimated)
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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+
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Chemical Structure| 1667-10-3
Chemical Structure| 1667-10-3
Structure of 1667-10-3 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 1667-10-3 ]

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Product Citations

Product Details of [ 1667-10-3 ]

CAS No. :1667-10-3 MDL No. :MFCD00674019
Formula : C14H12Cl2 Boiling Point : No data available
Linear Structure Formula :ClCH2C6H4C6H4CH2Cl InChI Key :INZDTEICWPZYJM-UHFFFAOYSA-N
M.W : 251.15 Pubchem ID :74275
Synonyms :

Calculated chemistry of [ 1667-10-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.14
Num. rotatable bonds : 3
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 71.4
TPSA : 0.0 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.18 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.84
Log Po/w (XLOGP3) : 5.14
Log Po/w (WLOGP) : 4.53
Log Po/w (MLOGP) : 4.92
Log Po/w (SILICOS-IT) : 5.49
Consensus Log Po/w : 4.58

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.99
Solubility : 0.00256 mg/ml ; 0.0000102 mol/l
Class : Moderately soluble
Log S (Ali) : -4.88
Solubility : 0.00327 mg/ml ; 0.000013 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -6.96
Solubility : 0.0000275 mg/ml ; 0.000000109 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.74

Safety of [ 1667-10-3 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3261
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1667-10-3 ]

* 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 [ 1667-10-3 ]

[ 1667-10-3 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 1667-10-3 ]
  • [ 122-52-1 ]
  • [ 17919-34-5 ]
YieldReaction ConditionsOperation in experiment
59% at 159℃; for 4h; 5.8 g (199.71 mmol) 4,4'-Bis-chloromethyldiphenyle were reacted with 105 g (600.00 mmol) triethylphosphite at 159C for 4 hours. The excess amount of triethylphosphite was distilled off. The residue was diluted with toluene. The precipitated product was filtered, washed with toluene and dried under reduce pressure. 53.2 g (59%) of a white solid was obtained. Melting point: 111 C
  • 3
  • [ 1667-10-3 ]
  • [ 78430-91-8 ]
  • 3,3'-([1,1'-biphenyl]-4,4'-diylbis(methylene))bis(1-(4-vinylbenzyl)-1H-imidazol-3-ium) chloride [ No CAS ]
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