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[ CAS No. 127294-77-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 127294-77-3
Chemical Structure| 127294-77-3
Structure of 127294-77-3 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 127294-77-3 ]

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Product Details of [ 127294-77-3 ]

CAS No. :127294-77-3 MDL No. :MFCD00673143
Formula : C6H16Cl2N2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :VEXIRMPBAHTVNL-UHFFFAOYSA-N
M.W : 187.11 Pubchem ID :24820174
Synonyms :

Calculated chemistry of [ 127294-77-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
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 : 52.29
TPSA : 24.06 ?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) : -6.36 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.52
Log Po/w (WLOGP) : 1.18
Log Po/w (MLOGP) : 0.9
Log Po/w (SILICOS-IT) : 0.79
Consensus Log Po/w : 0.88

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.89
Solubility : 2.4 mg/ml ; 0.0128 mol/l
Class : Very soluble
Log S (Ali) : -1.63
Solubility : 4.35 mg/ml ; 0.0232 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.47
Solubility : 6.33 mg/ml ; 0.0338 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.8

Safety of [ 127294-77-3 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:
GHS Pictogram:
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