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[ CAS No. 2382-96-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2382-96-9
Chemical Structure| 2382-96-9
Structure of 2382-96-9 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 2382-96-9 ]

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Product Details of [ 2382-96-9 ]

CAS No. :2382-96-9 MDL No. :MFCD00005769
Formula : C7H5NOS Boiling Point : No data available
Linear Structure Formula :- InChI Key :FLFWJIBUZQARMD-UHFFFAOYSA-N
M.W : 151.19 Pubchem ID :712377
Synonyms :

Calculated chemistry of [ 2382-96-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 41.26
TPSA : 64.83 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.55 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.96
Log Po/w (XLOGP3) : 2.36
Log Po/w (WLOGP) : 2.12
Log Po/w (MLOGP) : 1.25
Log Po/w (SILICOS-IT) : 2.22
Consensus Log Po/w : 1.98

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.93
Solubility : 0.178 mg/ml ; 0.00117 mol/l
Class : Soluble
Log S (Ali) : -3.36
Solubility : 0.0658 mg/ml ; 0.000435 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.01
Solubility : 0.149 mg/ml ; 0.000984 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.01

Safety of [ 2382-96-9 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 2382-96-9 ]

* 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 [ 2382-96-9 ]

[ 2382-96-9 ] Synthesis Path-Downstream   1~9

  • 1
  • [ 3034-48-8 ]
  • [ 2382-96-9 ]
  • [ 39259-58-0 ]
  • 2
  • [ 5704-04-1 ]
  • [ 7732-18-5 ]
  • nickel(II) nitrate [ No CAS ]
  • [ 2382-96-9 ]
  • [Ni[(HOCH2)3CNCH2COO][C7H4NO(S)]2(H2O)2](2-)*2H(1+)=H2[Ni[(HOCH2)3CNCH2COO][C7H4NO(S)]2(H2O)2] [ No CAS ]
  • 3
  • [ 5704-04-1 ]
  • cobalt(II) nitrate [ No CAS ]
  • [ 2382-96-9 ]
  • [Co[(HOCH2)3CNCH2COO][C7H4NO(S)]2](2-)*2H(1+)=H2[Co[(HOCH2)3CNCH2COO][C7H4NO(S)]2] [ No CAS ]
  • 4
  • [ 5704-04-1 ]
  • copper(II) nitrate [ No CAS ]
  • [ 2382-96-9 ]
  • [Cu[(HOCH2)3CNCH2COO][C7H4NO(S)]2](2-)*2H(1+)=H2[Cu[(HOCH2)3CNCH2COO][C7H4NO(S)]2] [ No CAS ]
  • 5
  • [ 363-52-0 ]
  • [ 2382-96-9 ]
  • [ 1521221-59-9 ]
  • [ 1521221-72-6 ]
  • 6
  • [ 110-85-0 ]
  • [ 2382-96-9 ]
  • [ 111628-39-8 ]
YieldReaction ConditionsOperation in experiment
71% In toluene; at 150℃; for 16h; In a 100ml round bottom flask was placed 0.604g (4mmol) of benzoxazole and 0.688g (8 mmol) of anhydrouspiperazine or substituted piperazine derivative. 50 ml of drytoluene was added to this mixture and the contents werestirred and refluxed over an oil bath maintained at 150C for16-18 hours. After this period, the mixture was cooled andthe solvent was rotary evaporated and the residue wassubjected to column chromatography over silica gel usingmethanol/methylene chloride (20/80) to furnish the titledcompounds.
  • 7
  • [ 105763-77-7 ]
  • [ 2382-96-9 ]
  • 4-(benzo[d]oxazol-2-ylthio)-2-chloro-6-methoxyquinazoline [ No CAS ]
  • 8
  • [ 105763-77-7 ]
  • [ 2382-96-9 ]
  • C23H14N4O3S2 [ No CAS ]
  • 9
  • [ 105763-77-7 ]
  • [ 2382-96-9 ]
  • N-(benzo[d]oxazol-2-yl)-4-(benzo[d]oxazol-2-ylthio)-6-methoxyquinazolin-2-amine [ No CAS ]
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