Home Cart 0 Sign in  
X

[ CAS No. 7362-39-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 7362-39-2
Chemical Structure| 7362-39-2
Chemical Structure| 7362-39-2
Structure of 7362-39-2 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 7362-39-2 ]

Related Doc. of [ 7362-39-2 ]

Alternatived Products of [ 7362-39-2 ]

Product Details of [ 7362-39-2 ]

CAS No. :7362-39-2 MDL No. :MFCD00210460
Formula : C11H12O3 Boiling Point : -
Linear Structure Formula :- InChI Key :ZOQCEVXVQCPESC-VMPITWQZSA-N
M.W : 192.21 Pubchem ID :676946
Synonyms :
Ethyl (E)-p-hydroxycinnamate;Ethyl trans-4-hydroxycinnamate

Calculated chemistry of [ 7362-39-2 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.18
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 54.26
TPSA : 46.53 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.61 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.32
Log Po/w (XLOGP3) : 2.63
Log Po/w (WLOGP) : 1.86
Log Po/w (MLOGP) : 1.88
Log Po/w (SILICOS-IT) : 2.1
Consensus Log Po/w : 2.16

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.74
Solubility : 0.348 mg/ml ; 0.00181 mol/l
Class : Soluble
Log S (Ali) : -3.26
Solubility : 0.106 mg/ml ; 0.000553 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.4
Solubility : 0.772 mg/ml ; 0.00402 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.04

Safety of [ 7362-39-2 ]

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