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[ CAS No. 160232-08-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 160232-08-6
Chemical Structure| 160232-08-6
Structure of 160232-08-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 160232-08-6 ]

CAS No. :160232-08-6 MDL No. :MFCD15144668
Formula : C19H32N2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :NVEPLQDORJSXRO-DLBZAZTESA-N
M.W : 336.47 Pubchem ID :9902339
Synonyms :

Calculated chemistry of [ 160232-08-6 ]

Physicochemical Properties

Num. heavy atoms : 24
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.63
Num. rotatable bonds : 11
Num. H-bond acceptors : 4.0
Num. H-bond donors : 3.0
Molar Refractivity : 97.57
TPSA : 70.59 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.06 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.65
Log Po/w (XLOGP3) : 3.23
Log Po/w (WLOGP) : 2.73
Log Po/w (MLOGP) : 2.46
Log Po/w (SILICOS-IT) : 3.02
Consensus Log Po/w : 3.02

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.42
Solubility : 0.128 mg/ml ; 0.00038 mol/l
Class : Soluble
Log S (Ali) : -4.39
Solubility : 0.0139 mg/ml ; 0.0000412 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -4.93
Solubility : 0.00396 mg/ml ; 0.0000118 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.63

Safety of [ 160232-08-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 160232-08-6 ]

* 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.

  • Upstream synthesis route of [ 160232-08-6 ]
  • Downstream synthetic route of [ 160232-08-6 ]

[ 160232-08-6 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 160232-08-6 ]
  • [ 635728-49-3 ]
Reference: [1] Patent: US2012/251826, 2012, A1,
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