Home Cart 0 Sign in  

[ CAS No. 1106676-82-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1106676-82-7
Chemical Structure| 1106676-82-7
Structure of 1106676-82-7 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1106676-82-7 ]

Related Doc. of [ 1106676-82-7 ]

Alternatived Products of [ 1106676-82-7 ]

Product Details of [ 1106676-82-7 ]

CAS No. :1106676-82-7 MDL No. :MFCD07644467
Formula : C6H4BBrF2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :RWBIJRFCSHAOGQ-UHFFFAOYSA-N
M.W : 236.81 Pubchem ID :23005403
Synonyms :

Calculated chemistry of [ 1106676-82-7 ]

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 : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.25

Safety of [ 1106676-82-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
Historical Records