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[ CAS No. 18851-33-7 ] {[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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Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
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Chemical Structure| 18851-33-7
Chemical Structure| 18851-33-7
Structure of 18851-33-7 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 18851-33-7 ]

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Product Citations

Product Details of [ 18851-33-7 ]

CAS No. :18851-33-7 MDL No. :MFCD00150061
Formula : C12H11ClN2O Boiling Point : No data available
Linear Structure Formula :- InChI Key :NDLHUHRGAIHALB-UHFFFAOYSA-N
M.W : 234.68 Pubchem ID :2723715
Synonyms :

Calculated chemistry of [ 18851-33-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 14
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 67.06
TPSA : 35.01 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.23 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.11
Log Po/w (WLOGP) : 3.52
Log Po/w (MLOGP) : 1.26
Log Po/w (SILICOS-IT) : 2.99
Consensus Log Po/w : 1.98

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.27
Solubility : 0.126 mg/ml ; 0.000535 mol/l
Class : Soluble
Log S (Ali) : -2.48
Solubility : 0.784 mg/ml ; 0.00334 mol/l
Class : Soluble
Log S (SILICOS-IT) : -5.0
Solubility : 0.00234 mg/ml ; 0.00000995 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.58

Safety of [ 18851-33-7 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P273-P301+P310-P501 UN#:2811
Hazard Statements:H301-H410 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 18851-33-7 ]

* 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 [ 18851-33-7 ]

[ 18851-33-7 ] Synthesis Path-Downstream   1~15

  • 1
  • [ 354527-69-8 ]
  • [ 18851-33-7 ]
  • [ 7758-99-8 ]
  • Cu(nicotinic acid(-1H))(1,10-phenanthroline)2(1+) [ No CAS ]
  • 2
  • [ 18851-33-7 ]
  • [ 7758-99-8 ]
  • [ 50-81-7 ]
  • Cu(L-ascorbic acid(-1H))(1,10-phenanthroline)2(1+) [ No CAS ]
  • 3
  • [ 18851-33-7 ]
  • potassium trioxalatocobaltate(III) trihydrate [ No CAS ]
  • [ 24458-65-9 ]
  • 4
  • ammonium thiocyanate [ No CAS ]
  • manganese(II) sulfate [ No CAS ]
  • [ 18851-33-7 ]
  • Mn(C12H8N2)2(NCS)2 [ No CAS ]
  • 5
  • ammonium thiocyanate [ No CAS ]
  • [ 18851-33-7 ]
  • manganese(ll) chloride [ No CAS ]
  • Mn(C12H8N2)2(NCS)2 [ No CAS ]
  • 6
  • [ 18851-33-7 ]
  • samarium(III) nitrate [ No CAS ]
  • [ 50-81-7 ]
  • [Sm(1,10-phenanthroline)(ascorbate)(NO3)]*4H2O [ No CAS ]
  • 7
  • [ 18851-33-7 ]
  • europium(III) nitrate [ No CAS ]
  • [ 50-81-7 ]
  • [Eu(1,10-phenanthroline)(ascorbate)(NO3)]*4H2O [ No CAS ]
  • 8
  • [ 10025-99-7 ]
  • [ 18851-33-7 ]
  • [ 50-81-7 ]
  • [Pt(1,10-phenanthroline)2][ascorbate] [ No CAS ]
  • 9
  • iron(III) chloride hexahydrate [ No CAS ]
  • [ 18851-33-7 ]
  • [ 37825-41-5 ]
  • 10
  • [ 18851-33-7 ]
  • copper(II) nicotinate dihydrate [ No CAS ]
  • [Cu(1,10-phenanthroline)2][nicotinate]2 [ No CAS ]
  • 11
  • ammonium persulfate [ No CAS ]
  • nickel(II) chloride hexahydrate [ No CAS ]
  • [ 18851-33-7 ]
  • [ 1017624-66-6 ]
  • 12
  • iron(III) chloride hexahydrate [ No CAS ]
  • ammonium persulfate [ No CAS ]
  • [ 18851-33-7 ]
  • [Fe(III)(1,10-phenanthroline)3]2(peroxodisulfate)3*2H2O [ No CAS ]
  • 13
  • ammonium persulfate [ No CAS ]
  • [ 18851-33-7 ]
  • cobalt(II) chloride hexahydrate [ No CAS ]
  • [Co(III)(1,10-phenanthroline)3]2(peroxodisulfate)3*8H2O [ No CAS ]
  • 14
  • [ 18851-33-7 ]
  • [ 88194-82-5 ]
  • 15
  • [ 18851-33-7 ]
  • [ 86526-10-5 ]
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