Home Cart 0 Sign in  
X

[ CAS No. 1256833-95-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1256833-95-0
Chemical Structure| 1256833-95-0
Chemical Structure| 1256833-95-0
Structure of 1256833-95-0 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1256833-95-0 ]

Related Doc. of [ 1256833-95-0 ]

Alternatived Products of [ 1256833-95-0 ]

Product Details of [ 1256833-95-0 ]

CAS No. :1256833-95-0 MDL No. :MFCD18257156
Formula : C10H6BrNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :VRDJRQZUFMEDGK-UHFFFAOYSA-N
M.W : 252.06 Pubchem ID :82572024
Synonyms :

Calculated chemistry of [ 1256833-95-0 ]      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 : 1.0
Molar Refractivity : 56.4
TPSA : 50.19 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.96 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.61
Log Po/w (XLOGP3) : 2.65
Log Po/w (WLOGP) : 2.7
Log Po/w (MLOGP) : 0.67
Log Po/w (SILICOS-IT) : 2.47
Consensus Log Po/w : 2.02

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.85

Water Solubility

Log S (ESOL) : -3.53
Solubility : 0.0736 mg/ml ; 0.000292 mol/l
Class : Soluble
Log S (Ali) : -3.36
Solubility : 0.111 mg/ml ; 0.000441 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.93
Solubility : 0.0295 mg/ml ; 0.000117 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.42

Safety of [ 1256833-95-0 ]

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