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[ CAS No. 151257-01-1 ] {[proInfo.proName]}

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Chemical Structure| 151257-01-1
Chemical Structure| 151257-01-1
Structure of 151257-01-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 151257-01-1 ]

CAS No. :151257-01-1 MDL No. :MFCD03428357
Formula : C11H19ClN2O Boiling Point : -
Linear Structure Formula :- InChI Key :WWRHZLCKSVQRBG-UHFFFAOYSA-N
M.W : 230.73 Pubchem ID :10176995
Synonyms :

Calculated chemistry of [ 151257-01-1 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.82
Num. rotatable bonds : 3
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 71.69
TPSA : 41.46 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.98 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.43
Log Po/w (WLOGP) : 2.06
Log Po/w (MLOGP) : 2.18
Log Po/w (SILICOS-IT) : 3.12
Consensus Log Po/w : 1.96

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.6
Solubility : 0.575 mg/ml ; 0.00249 mol/l
Class : Soluble
Log S (Ali) : -2.94
Solubility : 0.263 mg/ml ; 0.00114 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.39
Solubility : 0.0946 mg/ml ; 0.00041 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.54

Safety of [ 151257-01-1 ]

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

Application In Synthesis of [ 151257-01-1 ]

* 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 [ 151257-01-1 ]
  • Downstream synthetic route of [ 151257-01-1 ]

[ 151257-01-1 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 194984-24-2 ]
  • [ 151257-01-1 ]
Reference: [1] Patent: US5698704, 1997, A,
[2] Patent: US5698704, 1997, A,
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