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[ CAS No. 10526-07-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 10526-07-5
Chemical Structure| 10526-07-5
Structure of 10526-07-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 10526-07-5 ]

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Product Details of [ 10526-07-5 ]

CAS No. :10526-07-5 MDL No. :MFCD00043718
Formula : C18H16N2O2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :DKKYOQYISDAQER-UHFFFAOYSA-N
M.W : 292.33 Pubchem ID :66342
Synonyms :

Calculated chemistry of [ 10526-07-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 22
Num. arom. heavy atoms : 18
Fraction Csp3 : 0.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 88.28
TPSA : 70.5 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.51 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.66
Log Po/w (XLOGP3) : 3.62
Log Po/w (WLOGP) : 4.45
Log Po/w (MLOGP) : 3.04
Log Po/w (SILICOS-IT) : 2.68
Consensus Log Po/w : 3.29

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.27
Solubility : 0.0155 mg/ml ; 0.0000531 mol/l
Class : Moderately soluble
Log S (Ali) : -4.79
Solubility : 0.00476 mg/ml ; 0.0000163 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -6.19
Solubility : 0.00019 mg/ml ; 0.00000065 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.43

Safety of [ 10526-07-5 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338 UN#:
Hazard Statements:H302 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 10526-07-5 ]

* 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 [ 10526-07-5 ]

[ 10526-07-5 ] Synthesis Path-Downstream   1~11

  • 1
  • [ 2657-87-6 ]
  • [ 10526-07-5 ]
  • [ 1107-00-2 ]
  • [ 119389-05-8 ]
  • polymer, Mn 3491 Da, Mw 6667 Da, PDI 1.91; monomer(s): 4,4\-(hexafluoroisopropylidene)diphthalic anhydride; 3,4\-diaminodiphenyl ether; 1,3-bis(3-aminophenoxy)benzene; 4-(phenylethynyl)phthalic anhydride [ No CAS ]
  • 2
  • [ 2657-87-6 ]
  • [ 10526-07-5 ]
  • [ 1107-00-2 ]
  • [ 119389-05-8 ]
  • polymer, Mn 5367 Da, Mw 11056 Da, PDI 2.06; monomer(s): 4,4\-(hexafluoroisopropylidene)diphthalic anhydride; 3,4\-diaminodiphenyl ether; 1,3-bis(3-aminophenoxy)benzene; 4-(phenylethynyl)phthalic anhydride [ No CAS ]
  • 3
  • [ 2657-87-6 ]
  • [ 10526-07-5 ]
  • [ 119389-05-8 ]
  • 4,4-(2,2,2-trifluoro-1-phenylethylidene)bis(phthalic anhydride) [ No CAS ]
  • polymer, Mn 3215 Da, Mw 5855 Da, PDI 1.82; monomer(s): 4,4\-(2,2,2-trifluoro-1-phenylethylidene)diphthalic anhydride; 3,4\-diaminodiphenyl ether; 1,3-bis(3-aminophenoxy)benzene; 4-(phenylethynyl)phthalic anhydride [ No CAS ]
  • 4
  • [ 2657-87-6 ]
  • [ 10526-07-5 ]
  • [ 119389-05-8 ]
  • 4,4-(2,2,2-trifluoro-1-phenylethylidene)bis(phthalic anhydride) [ No CAS ]
  • polymer, Mn 5301 Da, Mw 11769 Da, PDI 2.16; monomer(s): 4,4\-(2,2,2-trifluoro-1-phenylethylidene)diphthalic anhydride; 3,4\-diaminodiphenyl ether; 1,3-bis(3-aminophenoxy)benzene; 4-(phenylethynyl)phthalic anhydride [ No CAS ]
  • 5
  • [ 2657-87-6 ]
  • [ 10526-07-5 ]
  • [ 119389-05-8 ]
  • 4,4-(2,2,2-trifluoro-1-phenylethylidene)bis(phthalic anhydride) [ No CAS ]
  • polymer; monomer(s): 4,4\-(2,2,2-trifluoro-1-phenylethylidene)diphthalic anhydride; 3,4\-diaminodiphenyl ether; 1,3-bis(3-aminophenoxy)benzene; 4-(phenylethynyl)phthalic anhydride [ No CAS ]
  • 6
  • [ 2657-87-6 ]
  • [ 2420-87-3 ]
  • [ 10526-07-5 ]
  • [ 119389-05-8 ]
  • polymer, Mn 3491 Da, Mw 6796 Da, PDI 1.94; monomer(s): 3,3\,,4,4\-biphenylenetetracarboxylic dianhydride; 3,4\-diaminodiphenyl ether; 1,3-bis(3-aminophenoxy)benzene; 4-(phenylethynyl)phthalic anhydride [ No CAS ]
  • 7
  • [ 2657-87-6 ]
  • [ 2420-87-3 ]
  • [ 10526-07-5 ]
  • [ 119389-05-8 ]
  • polymer, Mn 8383 Da, Mw 14496 Da, PDI 1.73; monomer(s): 3,3\,,4,4\-biphenylenetetracarboxylic dianhydride; 3,4\-diaminodiphenyl ether; 1,3-bis(3-aminophenoxy)benzene; 4-(phenylethynyl)phthalic anhydride [ No CAS ]
  • 8
  • [ 2657-87-6 ]
  • [ 2420-87-3 ]
  • [ 10526-07-5 ]
  • [ 119389-05-8 ]
  • polymer; monomer(s): 3,3\,,4,4\-biphenylenetetracarboxylic dianhydride; 3,4\-diaminodiphenyl ether; 1,3-bis(3-aminophenoxy)benzene; 4-(phenylethynyl)phthalic anhydride [ No CAS ]
  • 9
  • [ 10526-07-5 ]
  • [ 119389-05-8 ]
  • 4,4-(2,2,2-trifluoro-1-phenylethylidene)bis(phthalic anhydride) [ No CAS ]
  • polymer, Mn 5406 Da, Mw 11055 Da, PDI 2.11; monomer(s): 4,4\-(2,2,2-trifluoro-1-phenylethylidene)diphthalic anhydride; 1,3-bis(3-aminophenoxy)benzene; 4-(phenylethynyl)phthalic anhydride [ No CAS ]
  • 10
  • [ 2657-87-6 ]
  • [ 2420-87-3 ]
  • [ 10526-07-5 ]
  • [ 119389-05-8 ]
  • polymer; monomer(s); 3,3',4,4'-biphenyltetracarboxylic dianhydride; 3,4'-oxydianiline; 1,3-bis(3-aminophenoxy)benzene; 4-phenylethynylphthalic anhydride [ No CAS ]
  • 11
  • [ 1823-59-2 ]
  • [ 10526-07-5 ]
  • [ 119389-05-8 ]
  • poly(4,4'-oxydiphthalic acid dianhydride-co-1,3-bis(3-aminophenoxy)benzene-co-4-phenylethynylphthalic anhydride) [ No CAS ]
  • [ 2387-23-7 ]
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