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[ CAS No. 2403-89-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2403-89-6
Chemical Structure| 2403-89-6
Structure of 2403-89-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 2403-89-6 ]

CAS No. :2403-89-6 MDL No. :MFCD00191220
Formula : C10H21NO Boiling Point : No data available
Linear Structure Formula :- InChI Key :NWHNXXMYEICZAT-UHFFFAOYSA-N
M.W : 171.28 Pubchem ID :75472
Synonyms :

Calculated chemistry of [ 2403-89-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 56.12
TPSA : 23.47 ?2

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) : -6.37 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.33
Log Po/w (XLOGP3) : 1.37
Log Po/w (WLOGP) : 1.25
Log Po/w (MLOGP) : 1.52
Log Po/w (SILICOS-IT) : 1.43
Consensus Log Po/w : 1.58

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.77
Solubility : 2.94 mg/ml ; 0.0172 mol/l
Class : Very soluble
Log S (Ali) : -1.47
Solubility : 5.86 mg/ml ; 0.0342 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.71
Solubility : 3.36 mg/ml ; 0.0196 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.52

Safety of [ 2403-89-6 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280 UN#:
Hazard Statements:H317 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 2403-89-6 ]

* 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 [ 2403-89-6 ]
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