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[ CAS No. 10240-08-1 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 10240-08-1
Chemical Structure| 10240-08-1
Chemical Structure| 10240-08-1
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Product Details of [ 10240-08-1 ]

CAS No. :10240-08-1 MDL No. :MFCD00060344
Formula : C11H10O Boiling Point : -
Linear Structure Formula :- InChI Key :ZSUDUDXOEGHEJR-UHFFFAOYSA-N
M.W : 158.20 Pubchem ID :82483
Synonyms :

Calculated chemistry of [ 10240-08-1 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.09
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 50.94
TPSA : 20.23 Ų

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) : -5.01 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.87
Log Po/w (XLOGP3) : 3.18
Log Po/w (WLOGP) : 2.85
Log Po/w (MLOGP) : 2.83
Log Po/w (SILICOS-IT) : 2.98
Consensus Log Po/w : 2.74

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.44
Solubility : 0.0573 mg/ml ; 0.000362 mol/l
Class : Soluble
Log S (Ali) : -3.28
Solubility : 0.0838 mg/ml ; 0.00053 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.87
Solubility : 0.0212 mg/ml ; 0.000134 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 10240-08-1 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 10240-08-1 ]

* 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.

  • Upstream synthesis route of [ 10240-08-1 ]
  • Downstream synthetic route of [ 10240-08-1 ]

[ 10240-08-1 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 10240-08-1 ]
  • [ 127-09-3 ]
  • [ 107-19-7 ]
  • [ 2216-69-5 ]
  • [ 15971-29-6 ]
Reference: [1] Patent: US4818096, 1989, A,
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