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[ CAS No. 1262769-75-4 ] {[proInfo.proName]}

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Chemical Structure| 1262769-75-4
Chemical Structure| 1262769-75-4
Structure of 1262769-75-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1262769-75-4 ]

CAS No. :1262769-75-4 MDL No. :MFCD13181592
Formula : C4H9Br2N Boiling Point : -
Linear Structure Formula :- InChI Key :ZSDJSWROXIUGAE-UHFFFAOYSA-N
M.W : 230.93 Pubchem ID :66570691
Synonyms :

Calculated chemistry of [ 1262769-75-4 ]

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 43.85
TPSA : 12.03 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) : -6.49 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.72
Log Po/w (WLOGP) : 1.32
Log Po/w (MLOGP) : 1.49
Log Po/w (SILICOS-IT) : 1.68
Consensus Log Po/w : 1.24

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.36
Solubility : 1.02 mg/ml ; 0.00441 mol/l
Class : Soluble
Log S (Ali) : -1.59
Solubility : 5.95 mg/ml ; 0.0258 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.64
Solubility : 5.25 mg/ml ; 0.0228 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.58

Safety of [ 1262769-75-4 ]

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