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[ CAS No. 188011-69-0 ] Bikinin

Cat. No.: A176791
Chemical Structure| 188011-69-0
Chemical Structure| 188011-69-0
Structure of 188011-69-0 * Storage: Sealed in dry,2-8°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
98% 10mg $6.00 Inquiry Inquiry
98% 50mg $17.00 Inquiry Inquiry
98% 100mg $31.00 Inquiry Inquiry
98% 250mg $44.00 Inquiry Inquiry
98% 1g $101.00 Inquiry Inquiry
98% 5g $343.00 Inquiry Inquiry

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Product Details of [ 188011-69-0 ]

CAS No. :188011-69-0 MDL No. :MFCD00116442
Formula : C9H9BrN2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :XFYYQDHEDOXWGA-UHFFFAOYSA-N
M.W : 273.08 Pubchem ID :647833
Synonyms :
Abrasin
Chemical Name :4-((5-Bromopyridin-2-yl)amino)-4-oxobutanoic acid

Calculated chemistry of [ 188011-69-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.22
Num. rotatable bonds : 5
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 57.64
TPSA : 79.29 Ų

Pharmacokinetics

GI absorption : High
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) : -7.63 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.86
Log Po/w (XLOGP3) : 0.48
Log Po/w (WLOGP) : 1.46
Log Po/w (MLOGP) : 0.34
Log Po/w (SILICOS-IT) : 1.21
Consensus Log Po/w : 0.87

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -1.8
Solubility : 4.31 mg/ml ; 0.0158 mol/l
Class : Very soluble
Log S (Ali) : -1.71
Solubility : 5.27 mg/ml ; 0.0193 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.06
Solubility : 0.237 mg/ml ; 0.000869 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.9

Safety of [ 188011-69-0 ]

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