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[ CAS No. 24307-26-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 24307-26-4
Chemical Structure| 24307-26-4
Structure of 24307-26-4 * Storage: {[proInfo.prStorage]}

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Product Details of [ 24307-26-4 ]

CAS No. :24307-26-4 MDL No. :MFCD00055543
Formula : C7H16ClN Boiling Point : -
Linear Structure Formula :- InChI Key :VHOVSQVSAAQANU-UHFFFAOYSA-M
M.W : 149.66 Pubchem ID :62781
Synonyms :

Calculated chemistry of [ 24307-26-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 47.37
TPSA : 0.0 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -9.22 cm/s

Lipophilicity

Log Po/w (iLOGP) : -1.64
Log Po/w (XLOGP3) : -2.82
Log Po/w (WLOGP) : -2.13
Log Po/w (MLOGP) : -1.86
Log Po/w (SILICOS-IT) : 1.4
Consensus Log Po/w : -1.41

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 3.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 1.01
Solubility : 1530.0 mg/ml ; 10.2 mol/l
Class : Highly soluble
Log S (Ali) : 3.38
Solubility : 355000.0 mg/ml ; 2370.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -2.04
Solubility : 1.36 mg/ml ; 0.00912 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 24307-26-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P273 UN#:N/A
Hazard Statements:H302-H412 Packing Group:N/A
GHS Pictogram:
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