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[ CAS No. 1060810-03-8 ] 5-Chloro-2-methylisonicotinic acid

Cat. No.: A137714
Chemical Structure| 1060810-03-8
Chemical Structure| 1060810-03-8
Structure of 1060810-03-8 * Storage: Inert atmosphere,2-8°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
97% 100mg $49.00 Inquiry Inquiry
97% 250mg $60.00 Inquiry Inquiry
97% 1g $150.00 Inquiry Inquiry
97% 5g $550.00 Inquiry Inquiry

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Product Details of [ 1060810-03-8 ]

CAS No. :1060810-03-8 MDL No. :MFCD13189303
Formula : C7H6ClNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :GARAUIFEOTVPAO-UHFFFAOYSA-N
M.W : 171.58 Pubchem ID :57346520
Synonyms :

Calculated chemistry of [ 1060810-03-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 41.17
TPSA : 50.19 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) : -6.35 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.17
Log Po/w (XLOGP3) : 1.41
Log Po/w (WLOGP) : 1.74
Log Po/w (MLOGP) : -0.18
Log Po/w (SILICOS-IT) : 1.82
Consensus Log Po/w : 1.19

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.13
Solubility : 1.27 mg/ml ; 0.00742 mol/l
Class : Soluble
Log S (Ali) : -2.07
Solubility : 1.47 mg/ml ; 0.00854 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.4
Solubility : 0.688 mg/ml ; 0.00401 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 1060810-03-8 ]

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