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[ CAS No. 1255718-30-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1255718-30-9
Chemical Structure| 1255718-30-9
Structure of 1255718-30-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1255718-30-9 ]

CAS No. :1255718-30-9 MDL No. :MFCD18071233
Formula : C8H14ClNS Boiling Point : -
Linear Structure Formula :- InChI Key :DNYQWFOHMZFXMJ-UHFFFAOYSA-N
M.W : 191.72 Pubchem ID :50944213
Synonyms :

Calculated chemistry of [ 1255718-30-9 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.5
Num. rotatable bonds : 3
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 53.38
TPSA : 54.26 Ų

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) : -5.64 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.58
Log Po/w (WLOGP) : 3.03
Log Po/w (MLOGP) : 1.84
Log Po/w (SILICOS-IT) : 2.89
Consensus Log Po/w : 2.07

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.79
Solubility : 0.309 mg/ml ; 0.00161 mol/l
Class : Soluble
Log S (Ali) : -3.37
Solubility : 0.0822 mg/ml ; 0.000429 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.54
Solubility : 0.555 mg/ml ; 0.0029 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.5

Safety of [ 1255718-30-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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