Home Cart 0 Sign in  
X

[ CAS No. 376584-82-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 376584-82-6
Chemical Structure| 376584-82-6
Chemical Structure| 376584-82-6
Structure of 376584-82-6 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 376584-82-6 ]

Related Doc. of [ 376584-82-6 ]

Alternatived Products of [ 376584-82-6 ]
Product Citations

Product Details of [ 376584-82-6 ]

CAS No. :376584-82-6 MDL No. :MFCD13189945
Formula : C9H8BNO3 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 188.98 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 376584-82-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 3.0
Molar Refractivity : 54.39
TPSA : 73.32 Ų

Pharmacokinetics

GI absorption : High
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) : -7.28 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.24
Log Po/w (WLOGP) : -0.79
Log Po/w (MLOGP) : -0.08
Log Po/w (SILICOS-IT) : -0.05
Consensus Log Po/w : -0.14

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.63
Solubility : 4.48 mg/ml ; 0.0237 mol/l
Class : Very soluble
Log S (Ali) : -1.34
Solubility : 8.64 mg/ml ; 0.0457 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.5
Solubility : 0.596 mg/ml ; 0.00316 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.88

Safety of [ 376584-82-6 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 UN#:
Hazard Statements:H315-H319 Packing Group:
GHS Pictogram:
Recommend Products
Same Skeleton Products
Historical Records