Home Cart 0 Sign in  
X

[ CAS No. 2092357-48-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 2092357-48-5
Chemical Structure| 2092357-48-5
Chemical Structure| 2092357-48-5
Structure of 2092357-48-5 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 2092357-48-5 ]

Related Doc. of [ 2092357-48-5 ]

Alternatived Products of [ 2092357-48-5 ]

Product Details of [ 2092357-48-5 ]

CAS No. :2092357-48-5 MDL No. :MFCD30528673
Formula : C4H2BrClN2 Boiling Point : -
Linear Structure Formula :- InChI Key :HAFSOSNTDNHREJ-UHFFFAOYSA-N
M.W : 193.43 Pubchem ID :88064164
Synonyms :

Calculated chemistry of [ 2092357-48-5 ]

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 34.74
TPSA : 25.78 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) : -6.41 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.72
Log Po/w (XLOGP3) : 1.5
Log Po/w (WLOGP) : 1.89
Log Po/w (MLOGP) : 1.39
Log Po/w (SILICOS-IT) : 2.38
Consensus Log Po/w : 1.78

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.54
Solubility : 0.559 mg/ml ; 0.00289 mol/l
Class : Soluble
Log S (Ali) : -1.65
Solubility : 4.34 mg/ml ; 0.0224 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.12
Solubility : 0.145 mg/ml ; 0.000752 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.86

Safety of [ 2092357-48-5 ]

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:
Same Skeleton Products
Historical Records