Home Cart 0 Sign in  
X

[ CAS No. 1160182-46-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1160182-46-6
Chemical Structure| 1160182-46-6
Chemical Structure| 1160182-46-6
Structure of 1160182-46-6 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1160182-46-6 ]

Related Doc. of [ 1160182-46-6 ]

Alternatived Products of [ 1160182-46-6 ]

Product Details of [ 1160182-46-6 ]

CAS No. :1160182-46-6 MDL No. :MFCD31555218
Formula : C14H8BrNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :SOYRVFWKJAAXNT-UHFFFAOYSA-N
M.W : 302.12 Pubchem ID :132585269
Synonyms :

Calculated chemistry of [ 1160182-46-6 ]

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 70.76
TPSA : 50.09 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 : Yes
Log Kp (skin permeation) : -5.79 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.51
Log Po/w (XLOGP3) : 3.32
Log Po/w (WLOGP) : 3.93
Log Po/w (MLOGP) : 2.56
Log Po/w (SILICOS-IT) : 3.87
Consensus Log Po/w : 3.24

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.1
Solubility : 0.024 mg/ml ; 0.0000794 mol/l
Class : Moderately soluble
Log S (Ali) : -4.05
Solubility : 0.027 mg/ml ; 0.0000895 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -5.53
Solubility : 0.000892 mg/ml ; 0.00000295 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.21

Safety of [ 1160182-46-6 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P305+P351+P338-P304+P340 UN#:
Hazard Statements:H302 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1160182-46-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 1160182-46-6 ]
Same Skeleton Products
Historical Records