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[ CAS No. 1023301-88-3 ] {[proInfo.proName]}

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Chemical Structure| 1023301-88-3
Chemical Structure| 1023301-88-3
Structure of 1023301-88-3 * Storage: {[proInfo.prStorage]}

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Product Details of [ 1023301-88-3 ]

CAS No. :1023301-88-3 MDL No. :MFCD13185055
Formula : C14H27ClN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :CRHPGRDEEKJUJD-UHFFFAOYSA-N
M.W : 290.83 Pubchem ID :66570708
Synonyms :

Calculated chemistry of [ 1023301-88-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.93
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 87.13
TPSA : 41.57 ?2

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) : -6.25 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.57
Log Po/w (WLOGP) : 2.43
Log Po/w (MLOGP) : 2.23
Log Po/w (SILICOS-IT) : 1.82
Consensus Log Po/w : 1.81

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.06
Solubility : 0.251 mg/ml ; 0.000862 mol/l
Class : Soluble
Log S (Ali) : -3.09
Solubility : 0.236 mg/ml ; 0.000811 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.66
Solubility : 0.639 mg/ml ; 0.0022 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.99

Safety of [ 1023301-88-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:
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Technical Information

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