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Chemistry
Organic Building Blocks
Aryls
4-Bromo-5-chloro-2-fluorobenzaldehyde
Chemistry
Organic Building Blocks
Aryls
Bromides Chlorides Fluorinated Building Blocks Carboxylic Acids Aldehydes Benzene Compounds

[ CAS No. 1603584-72-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1603584-72-0
Chemical Structure| 1603584-72-0
Chemical Structure| 1603584-72-0
Structure of 1603584-72-0 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 1603584-72-0 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification
Alternatived Products of [ 1603584-72-0 ]

Product Details of [ 1603584-72-0 ]

CAS No. :1603584-72-0 MDL No. :MFCD26142710
Formula : C7H3BrClFO Boiling Point : -
Linear Structure Formula :- InChI Key :AJGYCHJPYQRCMC-UHFFFAOYSA-N
M.W : 237.45 Pubchem ID :84798806
Synonyms :

Calculated chemistry of [ 1603584-72-0 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 44.5
TPSA : 17.07 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.76 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.91
Log Po/w (XLOGP3) : 2.8
Log Po/w (WLOGP) : 3.47
Log Po/w (MLOGP) : 3.2
Log Po/w (SILICOS-IT) : 3.72
Consensus Log Po/w : 3.02

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.41
Solubility : 0.0916 mg/ml ; 0.000386 mol/l
Class : Soluble
Log S (Ali) : -2.82
Solubility : 0.363 mg/ml ; 0.00153 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.1
Solubility : 0.0189 mg/ml ; 0.0000794 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.42

Safety of [ 1603584-72-0 ]

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: 1603584-72-0 synthesis path| 1603584-72-0 SDS| 1603584-72-0 COA| 1603584-72-0 purity| 1603584-72-0 application| 1603584-72-0 NMR| 1603584-72-0 COA| 1603584-72-0 structure

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