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[ CAS No. 24214-73-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 24214-73-1
Chemical Structure| 24214-73-1
Structure of 24214-73-1 * Storage: {[proInfo.prStorage]}

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Product Details of [ 24214-73-1 ]

CAS No. :24214-73-1 MDL No. :MFCD00060160
Formula : C6H15ClN2 Boiling Point : No data available
Linear Structure Formula :NHNH2C6H11·HCl InChI Key :JZRHODNPRNTXKO-UHFFFAOYSA-N
M.W : 150.65 Pubchem ID :207836
Synonyms :

Calculated chemistry of [ 24214-73-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 41.32
TPSA : 38.05 ?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) : -6.04 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.66
Log Po/w (WLOGP) : 1.58
Log Po/w (MLOGP) : 1.38
Log Po/w (SILICOS-IT) : 0.5
Consensus Log Po/w : 1.03

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.75
Solubility : 2.66 mg/ml ; 0.0176 mol/l
Class : Very soluble
Log S (Ali) : -2.07
Solubility : 1.27 mg/ml ; 0.00846 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.95
Solubility : 16.8 mg/ml ; 0.112 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.68

Safety of [ 24214-73-1 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338 UN#:
Hazard Statements:H317-H319 Packing Group:
GHS Pictogram:
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