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[ CAS No. 937-41-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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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+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
3d Animation Molecule Structure of 937-41-7
Chemical Structure| 937-41-7
Chemical Structure| 937-41-7
Structure of 937-41-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 937-41-7 ]

CAS No. :937-41-7 MDL No. :MFCD00048145
Formula : C9H8O2 Boiling Point : -
Linear Structure Formula :- InChI Key :WRAQQYDMVSCOTE-UHFFFAOYSA-N
M.W : 148.16 Pubchem ID :61242
Synonyms :

Calculated chemistry of [ 937-41-7 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 42.27
TPSA : 26.3 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.73 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.04
Log Po/w (XLOGP3) : 2.08
Log Po/w (WLOGP) : 1.78
Log Po/w (MLOGP) : 2.16
Log Po/w (SILICOS-IT) : 2.02
Consensus Log Po/w : 2.02

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.27
Solubility : 0.787 mg/ml ; 0.00531 mol/l
Class : Soluble
Log S (Ali) : -2.26
Solubility : 0.811 mg/ml ; 0.00547 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.51
Solubility : 0.456 mg/ml ; 0.00308 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.47

Safety of [ 937-41-7 ]

Signal Word:Danger Class:9
Precautionary Statements:P501-P273-P260-P270-P264-P280-P391-P314-P337+P313-P305+P351+P338-P301+P312+P330 UN#:3082
Hazard Statements:H302-H319-H372-H410 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 937-41-7 ]

* 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.

  • Upstream synthesis route of [ 937-41-7 ]
  • Downstream synthetic route of [ 937-41-7 ]

[ 937-41-7 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 937-41-7 ]
  • [ 6968-35-0 ]
Reference: [1] Journal of the Chemical Society, 1956, p. 1585,1588
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