Home Cart 0 Sign in  

[ CAS No. 84349-27-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 84349-27-9
Chemical Structure| 84349-27-9
Structure of 84349-27-9 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 84349-27-9 ]

Related Doc. of [ 84349-27-9 ]

Alternatived Products of [ 84349-27-9 ]

Product Details of [ 84349-27-9 ]

CAS No. :84349-27-9 MDL No. :MFCD04038355
Formula : C2BrF2NaO2 Boiling Point : -
Linear Structure Formula :- InChI Key :CAQKQIYWKXZJGD-UHFFFAOYSA-M
M.W : 196.91 Pubchem ID :2782418
Synonyms :

Calculated chemistry of [ 84349-27-9 ]

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.5
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 19.57
TPSA : 40.13 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.56 cm/s

Lipophilicity

Log Po/w (iLOGP) : -5.69
Log Po/w (XLOGP3) : 1.32
Log Po/w (WLOGP) : 0.56
Log Po/w (MLOGP) : 0.69
Log Po/w (SILICOS-IT) : 1.18
Consensus Log Po/w : -0.39

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.83
Solubility : 2.94 mg/ml ; 0.0149 mol/l
Class : Very soluble
Log S (Ali) : -1.76
Solubility : 3.39 mg/ml ; 0.0172 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.71
Solubility : 38.4 mg/ml ; 0.195 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.4

Safety of [ 84349-27-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501 UN#:N/A
Hazard Statements:H302+H312+H332 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
Historical Records