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[ CAS No. 32499-64-2 ] {[proInfo.proName]}

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Chemical Structure| 32499-64-2
Chemical Structure| 32499-64-2
Structure of 32499-64-2 * Storage: {[proInfo.prStorage]}

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Product Details of [ 32499-64-2 ]

CAS No. :32499-64-2 MDL No. :MFCD00078171
Formula : C10H15NO3 Boiling Point : -
Linear Structure Formula :- InChI Key :ANEJUHJDPGTVIO-UHFFFAOYSA-N
M.W : 197.23 Pubchem ID :401882
Synonyms :

Calculated chemistry of [ 32499-64-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 54.64
TPSA : 46.61 ?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) : -7.1 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.18
Log Po/w (XLOGP3) : 0.57
Log Po/w (WLOGP) : 0.96
Log Po/w (MLOGP) : 0.76
Log Po/w (SILICOS-IT) : 0.88
Consensus Log Po/w : 1.07

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.22
Solubility : 11.8 mg/ml ; 0.0597 mol/l
Class : Very soluble
Log S (Ali) : -1.12
Solubility : 14.9 mg/ml ; 0.0756 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.07
Solubility : 16.8 mg/ml ; 0.0853 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.45

Safety of [ 32499-64-2 ]

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

Application In Synthesis of [ 32499-64-2 ]

* 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 [ 32499-64-2 ]
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