Home Cart 0 Sign in  

[ CAS No. 352535-81-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 352535-81-0
Chemical Structure| 352535-81-0
Structure of 352535-81-0 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 352535-81-0 ]

Related Doc. of [ 352535-81-0 ]

Alternatived Products of [ 352535-81-0 ]

Product Details of [ 352535-81-0 ]

CAS No. :352535-81-0 MDL No. :MFCD03095369
Formula : C6H4BBrF2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :QHYNAULNEIXXPC-UHFFFAOYSA-N
M.W : 236.81 Pubchem ID :4125779
Synonyms :

Calculated chemistry of [ 352535-81-0 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 43.88
TPSA : 40.46 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) : -6.52 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.72
Log Po/w (WLOGP) : 1.25
Log Po/w (MLOGP) : 1.91
Log Po/w (SILICOS-IT) : 0.84
Consensus Log Po/w : 1.14

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.7
Solubility : 0.477 mg/ml ; 0.00201 mol/l
Class : Soluble
Log S (Ali) : -2.19
Solubility : 1.54 mg/ml ; 0.00652 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.71
Solubility : 0.466 mg/ml ; 0.00197 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.04

Safety of [ 352535-81-0 ]

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:
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 352535-81-0 ]

Fluorinated Building Blocks

Chemical Structure| 216393-64-5

[ 216393-64-5 ]

4-Bromo-2-fluorobenzeneboronic acid

Similarity: 0.92

Chemical Structure| 913835-80-0

[ 913835-80-0 ]

(2-Bromo-6-fluorophenyl)boronic acid

Similarity: 0.88

Chemical Structure| 352535-97-8

[ 352535-97-8 ]

(3-Bromo-2-fluorophenyl)boronic acid

Similarity: 0.85

Chemical Structure| 374790-97-3

[ 374790-97-3 ]

4-Bromo-3-fluorobenzeneboronic acid

Similarity: 0.80

Chemical Structure| 957061-15-3

[ 957061-15-3 ]

(6-Bromo-2-fluoro-3-methylphenyl)boronic acid

Similarity: 0.79

Organoboron

Chemical Structure| 216393-64-5

[ 216393-64-5 ]

4-Bromo-2-fluorobenzeneboronic acid

Similarity: 0.92

Chemical Structure| 913835-80-0

[ 913835-80-0 ]

(2-Bromo-6-fluorophenyl)boronic acid

Similarity: 0.88

Chemical Structure| 352535-97-8

[ 352535-97-8 ]

(3-Bromo-2-fluorophenyl)boronic acid

Similarity: 0.85

Chemical Structure| 374790-97-3

[ 374790-97-3 ]

4-Bromo-3-fluorobenzeneboronic acid

Similarity: 0.80

Chemical Structure| 957061-15-3

[ 957061-15-3 ]

(6-Bromo-2-fluoro-3-methylphenyl)boronic acid

Similarity: 0.79

Aryls

Chemical Structure| 216393-64-5

[ 216393-64-5 ]

4-Bromo-2-fluorobenzeneboronic acid

Similarity: 0.92

Chemical Structure| 913835-80-0

[ 913835-80-0 ]

(2-Bromo-6-fluorophenyl)boronic acid

Similarity: 0.88

Chemical Structure| 352535-97-8

[ 352535-97-8 ]

(3-Bromo-2-fluorophenyl)boronic acid

Similarity: 0.85

Chemical Structure| 374790-97-3

[ 374790-97-3 ]

4-Bromo-3-fluorobenzeneboronic acid

Similarity: 0.80

Chemical Structure| 957061-15-3

[ 957061-15-3 ]

(6-Bromo-2-fluoro-3-methylphenyl)boronic acid

Similarity: 0.79

Bromides

Chemical Structure| 216393-64-5

[ 216393-64-5 ]

4-Bromo-2-fluorobenzeneboronic acid

Similarity: 0.92

Chemical Structure| 913835-80-0

[ 913835-80-0 ]

(2-Bromo-6-fluorophenyl)boronic acid

Similarity: 0.88

Chemical Structure| 352535-97-8

[ 352535-97-8 ]

(3-Bromo-2-fluorophenyl)boronic acid

Similarity: 0.85

Chemical Structure| 374790-97-3

[ 374790-97-3 ]

4-Bromo-3-fluorobenzeneboronic acid

Similarity: 0.80

Chemical Structure| 957061-15-3

[ 957061-15-3 ]

(6-Bromo-2-fluoro-3-methylphenyl)boronic acid

Similarity: 0.79