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Chemistry
Heterocyclic Building Blocks
Pyridines
5-Fluorothiazolo[4,5-b]pyridin-2-amine
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Pyridines
Thiazoles Amines Fluorinated Building Blocks Other Aromatic Heterocycles

[ CAS No. 1206248-77-2 ]

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1206248-77-2
Chemical Structure| 1206248-77-2
Chemical Structure| 1206248-77-2
Structure of 1206248-77-2 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 1206248-77-2 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 1206248-77-2 ]

SDS Specification
Alternatived Products of [ 1206248-77-2 ]

Product Details of [ 1206248-77-2 ]

CAS No. :1206248-77-2 MDL No. :MFCD14581837
Formula : C6H4FN3S Boiling Point : -
Linear Structure Formula :- InChI Key :JMNYDAMMUQXAQT-UHFFFAOYSA-N
M.W :169.18 g/mol Pubchem ID :76850227
Synonyms :

Calculated chemistry of [ 1206248-77-2 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 41.78
TPSA : 80.04 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.1 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.29
Log Po/w (XLOGP3) : 1.73
Log Po/w (WLOGP) : 1.84
Log Po/w (MLOGP) : 0.87
Log Po/w (SILICOS-IT) : 2.39
Consensus Log Po/w : 1.62

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.58
Solubility : 0.441 mg/ml ; 0.0026 mol/l
Class : Soluble
Log S (Ali) : -3.03
Solubility : 0.159 mg/ml ; 0.000939 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.51
Solubility : 0.522 mg/ml ; 0.00308 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.38

Safety of [ 1206248-77-2 ]

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:

Tags: 1206248-77-2 synthesis path| 1206248-77-2 SDS| 1206248-77-2 COA| 1206248-77-2 purity| 1206248-77-2 application| 1206248-77-2 NMR| 1206248-77-2 COA| 1206248-77-2 structure

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