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[ CAS No. 1403763-25-6 ] {[proInfo.proName]}

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Chemical Structure| 1403763-25-6
Chemical Structure| 1403763-25-6
Structure of 1403763-25-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1403763-25-6 ]

CAS No. :1403763-25-6 MDL No. :MFCD23381624
Formula : C6H14Cl2N2 Boiling Point : -
Linear Structure Formula :- InChI Key :CPKLWCPJBAELNP-BNTLRKBRSA-N
M.W : 185.10 Pubchem ID :74889795
Synonyms :

Calculated chemistry of [ 1403763-25-6 ]

Physicochemical Properties

Num. heavy atoms : 10
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 : 54.19
TPSA : 15.27 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.39 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.47
Log Po/w (WLOGP) : 0.5
Log Po/w (MLOGP) : 0.9
Log Po/w (SILICOS-IT) : 0.43
Consensus Log Po/w : 0.66

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.91
Solubility : 2.26 mg/ml ; 0.0122 mol/l
Class : Very soluble
Log S (Ali) : -1.4
Solubility : 7.41 mg/ml ; 0.0401 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.52
Solubility : 56.5 mg/ml ; 0.305 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.79

Safety of [ 1403763-25-6 ]

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:
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