Home Cart 0 Sign in  

[ CAS No. 109705-14-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 109705-14-8
Chemical Structure| 109705-14-8
Structure of 109705-14-8 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 109705-14-8 ]

Related Doc. of [ 109705-14-8 ]

Alternatived Products of [ 109705-14-8 ]

Product Details of [ 109705-14-8 ]

CAS No. :109705-14-8 MDL No. :MFCD00153182
Formula : C8H11BF5N Boiling Point : -
Linear Structure Formula :- InChI Key :RRNLYYDDEUOXBB-UHFFFAOYSA-N
M.W : 226.98 Pubchem ID :2779309
Synonyms :

Calculated chemistry of [ 109705-14-8 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.38
Num. rotatable bonds : 0
Num. H-bond acceptors : 5.0
Num. H-bond donors : 0.0
Molar Refractivity : 50.36
TPSA : 3.88 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.21 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 4.9
Log Po/w (WLOGP) : 5.03
Log Po/w (MLOGP) : 2.51
Log Po/w (SILICOS-IT) : 2.3
Consensus Log Po/w : 2.95

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.63
Solubility : 0.00532 mg/ml ; 0.0000234 mol/l
Class : Moderately soluble
Log S (Ali) : -4.72
Solubility : 0.00435 mg/ml ; 0.0000192 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -2.62
Solubility : 0.55 mg/ml ; 0.00242 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 1.98

Safety of [ 109705-14-8 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3260
Hazard Statements:H314 Packing Group:
GHS Pictogram:
Same Skeleton Products
Historical Records