Home Cart 0 Sign in  

[ CAS No. 1303889-76-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1303889-76-0
Chemical Structure| 1303889-76-0
Structure of 1303889-76-0 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1303889-76-0 ]

Related Doc. of [ 1303889-76-0 ]

Alternatived Products of [ 1303889-76-0 ]

Product Details of [ 1303889-76-0 ]

CAS No. :1303889-76-0 MDL No. :MFCD18089486
Formula : C14H14Cl2N2O Boiling Point : -
Linear Structure Formula :- InChI Key :OUKXGAAMJOMUQC-UHFFFAOYSA-N
M.W : 297.18 Pubchem ID :50988397
Synonyms :

Calculated chemistry of [ 1303889-76-0 ]

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 15
Fraction Csp3 : 0.07
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 80.1
TPSA : 52.05 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.66 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 3.45
Log Po/w (WLOGP) : 4.16
Log Po/w (MLOGP) : 1.76
Log Po/w (SILICOS-IT) : 2.74
Consensus Log Po/w : 2.42

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.31
Solubility : 0.0146 mg/ml ; 0.0000492 mol/l
Class : Moderately soluble
Log S (Ali) : -4.22
Solubility : 0.0177 mg/ml ; 0.0000597 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -5.13
Solubility : 0.00221 mg/ml ; 0.00000745 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.11

Safety of [ 1303889-76-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
Historical Records