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[ CAS No. 932047-03-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 932047-03-5
Chemical Structure| 932047-03-5
Structure of 932047-03-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 932047-03-5 ]

CAS No. :932047-03-5 MDL No. :MFCD26959634
Formula : C7H18Cl2N2 Boiling Point : -
Linear Structure Formula :- InChI Key :AQVHNNSIODHDPL-UHFFFAOYSA-N
M.W : 201.14 Pubchem ID :23289382
Synonyms :

Calculated chemistry of [ 932047-03-5 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 61.14
TPSA : 15.27 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 : Yes
Log Kp (skin permeation) : -6.23 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.83
Log Po/w (WLOGP) : 1.14
Log Po/w (MLOGP) : 1.22
Log Po/w (SILICOS-IT) : 0.94
Consensus Log Po/w : 1.03

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.24
Solubility : 1.16 mg/ml ; 0.00576 mol/l
Class : Soluble
Log S (Ali) : -1.77
Solubility : 3.41 mg/ml ; 0.0169 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.49
Solubility : 6.54 mg/ml ; 0.0325 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.38

Safety of [ 932047-03-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
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