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[ CAS No. 2690347-51-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2690347-51-2
Chemical Structure| 2690347-51-2
Structure of 2690347-51-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2690347-51-2 ]

CAS No. :2690347-51-2 MDL No. :N/A
Formula : C11H12Cl2N4 Boiling Point : -
Linear Structure Formula :- InChI Key :XDCKSWIUXIENNJ-UHFFFAOYSA-N
M.W : 271.15 Pubchem ID :164186583
Synonyms :

Calculated chemistry of [ 2690347-51-2 ]

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 72.66
TPSA : 75.65 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) : -6.26 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.38
Log Po/w (WLOGP) : 3.03
Log Po/w (MLOGP) : 1.03
Log Po/w (SILICOS-IT) : 1.73
Consensus Log Po/w : 1.63

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.41
Solubility : 0.105 mg/ml ; 0.000388 mol/l
Class : Soluble
Log S (Ali) : -3.61
Solubility : 0.0666 mg/ml ; 0.000246 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.91
Solubility : 0.0335 mg/ml ; 0.000124 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.38

Safety of [ 2690347-51-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 UN#:N/A
Hazard Statements:H315-H319 Packing Group:N/A
GHS Pictogram:
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