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[ CAS No. 2779-81-9 ] 3,6-Dichloropyridazin-4-ol

Cat. No.: A187308
Chemical Structure| 2779-81-9
Chemical Structure| 2779-81-9
Structure of 2779-81-9 * Storage: Inert atmosphere,2-8°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
95% 100mg $6.00 Inquiry Inquiry
95% 250mg $8.00 Inquiry Inquiry
95% 1g $16.00 Inquiry Inquiry
95% 5g $68.00 Inquiry Inquiry
95% 10g $135.00 Inquiry Inquiry
95% 25g $337.00 Inquiry Inquiry

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Product Details of [ 2779-81-9 ]

CAS No. :2779-81-9 MDL No. :MFCD04971276
Formula : C4H2Cl2N2O Boiling Point : No data available
Linear Structure Formula :- InChI Key :UZRZWRDICWBWBA-UHFFFAOYSA-N
M.W : 164.98 Pubchem ID :76018
Synonyms :

Calculated chemistry of [ 2779-81-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 34.07
TPSA : 46.01 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) : -6.31 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.43
Log Po/w (XLOGP3) : 1.41
Log Po/w (WLOGP) : 1.49
Log Po/w (MLOGP) : 0.6
Log Po/w (SILICOS-IT) : 1.87
Consensus Log Po/w : 1.36

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.24
Solubility : 0.94 mg/ml ; 0.0057 mol/l
Class : Soluble
Log S (Ali) : -1.98
Solubility : 1.73 mg/ml ; 0.0105 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.3
Solubility : 0.825 mg/ml ; 0.005 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.22

Safety of [ 2779-81-9 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338-P310 UN#:
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:
GHS Pictogram:
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