Home Cart 0 Sign in  
X

[ CAS No. 1929606-78-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1929606-78-9
Chemical Structure| 1929606-78-9
Chemical Structure| 1929606-78-9
Structure of 1929606-78-9 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 1929606-78-9 ]

Related Doc. of [ 1929606-78-9 ]

Alternatived Products of [ 1929606-78-9 ]
Product Citations

Product Details of [ 1929606-78-9 ]

CAS No. :1929606-78-9 MDL No. :MFCD29049291
Formula : C7H3BrFNO Boiling Point : -
Linear Structure Formula :- InChI Key :UUMOCNVCZVQRDP-UHFFFAOYSA-N
M.W : 216.01 Pubchem ID :122237448
Synonyms :

Calculated chemistry of [ 1929606-78-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 41.67
TPSA : 26.03 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) : -5.81 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.09
Log Po/w (XLOGP3) : 2.55
Log Po/w (WLOGP) : 3.15
Log Po/w (MLOGP) : 2.17
Log Po/w (SILICOS-IT) : 3.0
Consensus Log Po/w : 2.59

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.39
Solubility : 0.0878 mg/ml ; 0.000406 mol/l
Class : Soluble
Log S (Ali) : -2.74
Solubility : 0.389 mg/ml ; 0.0018 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.05
Solubility : 0.0191 mg/ml ; 0.0000885 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.29

Safety of [ 1929606-78-9 ]

Signal Word:Warning Class:
Precautionary Statements:P271-P261-P280 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
Recommend Products
Same Skeleton Products
Historical Records
; ;