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[ CAS No. 10252-29-6 ] {[proInfo.proName]}

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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+
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Chemical Structure| 10252-29-6
Chemical Structure| 10252-29-6
Structure of 10252-29-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 10252-29-6 ]

CAS No. :10252-29-6 MDL No. :MFCD00053223
Formula : C14H8Cl2N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :ASOXKYGOZZTVHL-UHFFFAOYSA-N
M.W : 307.13 Pubchem ID :4246116
Synonyms :

Calculated chemistry of [ 10252-29-6 ]

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 77.43
TPSA : 58.86 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.82 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.91
Log Po/w (XLOGP3) : 4.72
Log Po/w (WLOGP) : 4.86
Log Po/w (MLOGP) : 2.84
Log Po/w (SILICOS-IT) : 4.73
Consensus Log Po/w : 4.01

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.9
Solubility : 0.00389 mg/ml ; 0.0000127 mol/l
Class : Moderately soluble
Log S (Ali) : -5.69
Solubility : 0.000634 mg/ml ; 0.00000206 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -6.13
Solubility : 0.00023 mg/ml ; 0.000000748 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.19

Safety of [ 10252-29-6 ]

Signal Word:Danger Class:8
Precautionary Statements:P501-P260-P234-P264-P280-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P406-P405 UN#:3261
Hazard Statements:H314-H290 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 10252-29-6 ]

* 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 [ 10252-29-6 ]

[ 10252-29-6 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 54840-15-2 ]
  • [ 10252-29-6 ]
  • azobenzene-4,4'-bis(4-(N-tert-butoxycarbonylamino)phenyl)dibenzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
84% With triethylamine; In dichloromethane; at 5 - 20℃; for 6h; In the installation of a thermometer and dropping funnelThree-necked flaskAzobenzene-4,4'-Dicarbonyl dichloride (25.0 g, 81.4 mmol)andTriethylamine (19.8 g, 195.4 mmol)Add methylene chloride150mL.While keeping the solution in place5 C or less,Was added dropwise to a solution of methylene chloride (100 mL)Was dissolved a solution of 4- (N-tert-butoxycarbonylamino) phenol (34.5 g, 179.1 mmol)So that it is heated to room temperature,Stir for 6 hours.The reaction solution was added to water (250 mL)The organic layer was washed three times with pure water (300 mL).Use anhydrous magnesium sulfate to make organicAfter the layer is dried,The solvent was evaporated under reduced pressure to obtainAzobenzene-4,4'-bis (4- (N-tert-butoxycarbonylamino) phenyl) diphenylFormate(Yield 44.6 g, yield 84%)
  • 2
  • [ 54840-15-2 ]
  • [ 10252-29-6 ]
  • azobenzene-4,4'-bis(4-aminophenyl)dibenzoate [ No CAS ]
  • 3
  • [ 71026-66-9 ]
  • [ 10252-29-6 ]
  • C36H38N6O6 [ No CAS ]
YieldReaction ConditionsOperation in experiment
81% With triethylamine; In dichloromethane; at 5 - 20℃; for 6h; In a three-necked flask equipped with a thermometer and a dropping funnelAzobenzene-4,4'-dicarboxylic acid dichloride (25.0 g,81.4 mmol) and triethylamine (19.8 g, 195.4 mmol) were added, and 150 mL of dichloromethane was added. The solution was kept at 5 CAnd the mixture was dissolved in methylene chloride (100 mL)4- (N-tert-butoxycarbonylamino) aniline(37.3 g,179.1 mmol) was added, and the mixture was heated to room temperature and stirred for 6 hours. The reaction solution was added to water (250 mL), washed with pure water(300 mL). The organic layer was washed three times. The organic layer was dried over anhydrous magnesium sulfate, and the solvent was distilled off under reduced pressure to obtain the same(Yield 42.9 g, yield 81%)
  • 4
  • [ 2221-00-3 ]
  • [ 333-27-7 ]
  • [ 10252-29-6 ]
  • C34H30N8O2(2+)*2CF3O3S(1-) [ No CAS ]
  • 5
  • [ 117048-62-1 ]
  • [ 97682-44-5 ]
  • [ 10252-29-6 ]
  • C65H64N6O13 [ No CAS ]
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