Home Cart 0 Sign in  
X

[ CAS No. 193888-15-2 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 193888-15-2
Chemical Structure| 193888-15-2
Chemical Structure| 193888-15-2
Structure of 193888-15-2 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Bulk Inquiry Add To Cart

Quality Control of [ 193888-15-2 ]

Related Doc. of [ 193888-15-2 ]

Alternatived Products of [ 193888-15-2 ]

Product Details of [ 193888-15-2 ]

CAS No. :193888-15-2 MDL No. :MFCD19237226
Formula : C10H12BrClN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :WHXZDMLRCAXMNG-UHFFFAOYSA-N
M.W :307.57 g/mol Pubchem ID :10870536
Synonyms :

Calculated chemistry of [ 193888-15-2 ]

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.4
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 67.19
TPSA : 51.22 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.0 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.82
Log Po/w (XLOGP3) : 3.07
Log Po/w (WLOGP) : 3.65
Log Po/w (MLOGP) : 2.08
Log Po/w (SILICOS-IT) : 2.49
Consensus Log Po/w : 2.82

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.69
Solubility : 0.0621 mg/ml ; 0.000202 mol/l
Class : Soluble
Log S (Ali) : -3.81
Solubility : 0.0474 mg/ml ; 0.000154 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.43
Solubility : 0.0114 mg/ml ; 0.0000372 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.66

Safety of [ 193888-15-2 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P270-P301+P312-P330-P501 UN#:
Hazard Statements:H302 Packing Group:
GHS Pictogram:
Historical Records