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[ CAS No. 40273-47-0 ] 3-Fluoroisonicotinaldehyde

Cat. No.: A100450
Chemical Structure| 40273-47-0
Chemical Structure| 40273-47-0
Structure of 40273-47-0 * Storage: Keep in dark place,Sealed in dry,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
97% 1g $16.00 Inquiry Inquiry
97% 5g $22.00 Inquiry Inquiry
97% 10g $27.00 Inquiry Inquiry
97% 25g $67.00 Inquiry Inquiry
97% 100g $252.00 Inquiry Inquiry

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* Storage: Keep in dark place,Sealed in dry,Room Temperature

* Shipping: Normal

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Product Details of [ 40273-47-0 ]

CAS No. :40273-47-0 MDL No. :MFCD06410686
Formula : C6H4FNO Boiling Point : No data available
Linear Structure Formula :- InChI Key :KLKQXQXSZCNWLZ-UHFFFAOYSA-N
M.W : 125.10 Pubchem ID :2763003
Synonyms :

Calculated chemistry of [ 40273-47-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 29.58
TPSA : 29.96 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) : -6.77 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.11
Log Po/w (XLOGP3) : 0.41
Log Po/w (WLOGP) : 1.45
Log Po/w (MLOGP) : 0.22
Log Po/w (SILICOS-IT) : 1.94
Consensus Log Po/w : 1.03

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.3
Solubility : 6.25 mg/ml ; 0.05 mol/l
Class : Very soluble
Log S (Ali) : -0.61
Solubility : 31.0 mg/ml ; 0.248 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.21
Solubility : 0.773 mg/ml ; 0.00618 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.23

Safety of [ 40273-47-0 ]

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

Application In Synthesis of [ 40273-47-0 ]

* 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 [ 40273-47-0 ]
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