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[ CAS No. 50610-32-7 ] N,N'-(2-Chloro-1,4-phenylene)diacetamide

Cat. No.: A137099
Chemical Structure| 50610-32-7
Chemical Structure| 50610-32-7
Structure of 50610-32-7 * Storage: Sealed in dry,2-8°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
98% 100mg $17.00 Inquiry Inquiry
98% 250mg $32.00 Inquiry Inquiry
98% 1g $82.00 Inquiry Inquiry
98% 5g $275.00 Inquiry Inquiry

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Product Details of [ 50610-32-7 ]

CAS No. :50610-32-7 MDL No. :MFCD00221890
Formula : C10H11ClN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :WGHROLNIFFZEQJ-UHFFFAOYSA-N
M.W : 226.66 Pubchem ID :4608864
Synonyms :

Calculated chemistry of [ 50610-32-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.2
Num. rotatable bonds : 4
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 60.08
TPSA : 58.2 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) : -7.16 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.93
Log Po/w (XLOGP3) : 0.74
Log Po/w (WLOGP) : 1.88
Log Po/w (MLOGP) : 1.56
Log Po/w (SILICOS-IT) : 1.64
Consensus Log Po/w : 1.55

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.74
Solubility : 4.09 mg/ml ; 0.0181 mol/l
Class : Very soluble
Log S (Ali) : -1.54
Solubility : 6.52 mg/ml ; 0.0288 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.8
Solubility : 0.0363 mg/ml ; 0.00016 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.5

Safety of [ 50610-32-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P273-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335-H412 Packing Group:N/A
GHS Pictogram:
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