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Chemistry
Heterocyclic Building Blocks
Benzothiazoles
7-fluorobenzo[d]thiazole
4-Bromo-7-fluorobenzo[d]thiazol-2-amine
Chemistry
Heterocyclic Building Blocks
Organic Building Blocks
Benzothiazoles
Fluorinated Building Blocks
7-fluorobenzo[d]thiazole

[ CAS No. 942473-89-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 942473-89-4
Chemical Structure| 942473-89-4
Structure of 942473-89-4 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 942473-89-4 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification
Alternatived Products of [ 942473-89-4 ]

Product Details of [ 942473-89-4 ]

CAS No. :942473-89-4 MDL No. :MFCD09475480
Formula : C7H4BrFN2S Boiling Point : -
Linear Structure Formula :- InChI Key :IZJDJKFFDWPQON-UHFFFAOYSA-N
M.W : 247.09 Pubchem ID :26597105
Synonyms :

Calculated chemistry of [ 942473-89-4 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 51.68
TPSA : 67.15 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.81 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.91
Log Po/w (XLOGP3) : 2.82
Log Po/w (WLOGP) : 3.21
Log Po/w (MLOGP) : 2.44
Log Po/w (SILICOS-IT) : 3.5
Consensus Log Po/w : 2.78

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.7
Solubility : 0.0489 mg/ml ; 0.000198 mol/l
Class : Soluble
Log S (Ali) : -3.89
Solubility : 0.032 mg/ml ; 0.00013 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.75
Solubility : 0.0441 mg/ml ; 0.000179 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.43

Safety of [ 942473-89-4 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313-P362 UN#:N/A
Hazard Statements:H315-H319 Packing Group:N/A
GHS Pictogram:

Tags: 942473-89-4 synthesis path| 942473-89-4 SDS| 942473-89-4 COA| 942473-89-4 purity| 942473-89-4 application| 942473-89-4 NMR| 942473-89-4 COA| 942473-89-4 structure

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Chemistry
Heterocyclic Building Blocks
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7-fluorobenzo[d]thiazole
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Fluorinated Building Blocks
7-fluorobenzo[d]thiazole
Historical Records

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