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[ CAS No. 90389-84-7 ] {[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+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 90389-84-7
Chemical Structure| 90389-84-7
Structure of 90389-84-7 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 90389-84-7 ]

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Product Details of [ 90389-84-7 ]

CAS No. :90389-84-7 MDL No. :MFCD04623547
Formula : C8H10FN Boiling Point : -
Linear Structure Formula :- InChI Key :ZXWCKKSSCIFVBT-UHFFFAOYSA-N
M.W : 139.17 Pubchem ID :457577
Synonyms :

Calculated chemistry of [ 90389-84-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.25
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 38.97
TPSA : 12.03 ?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) : -5.91 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.07
Log Po/w (XLOGP3) : 1.75
Log Po/w (WLOGP) : 1.81
Log Po/w (MLOGP) : 2.3
Log Po/w (SILICOS-IT) : 2.25
Consensus Log Po/w : 2.04

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.12
Solubility : 1.06 mg/ml ; 0.00763 mol/l
Class : Soluble
Log S (Ali) : -1.62
Solubility : 3.34 mg/ml ; 0.024 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.49
Solubility : 0.0448 mg/ml ; 0.000322 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 90389-84-7 ]

Signal Word:Danger Class:8
Precautionary Statements:P501-P210-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405 UN#:2735
Hazard Statements:H227-H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 90389-84-7 ]

* 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.

  • Downstream synthetic route of [ 90389-84-7 ]

[ 90389-84-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 132898-96-5 ]
  • [ 90389-84-7 ]
  • N-[(3-fluorophenyl)methyl]-N-methyl-2,3-dioxo-2,3-dihydro-1H-indole-5-sulfonamide [ No CAS ]
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