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[ CAS No. 3524-68-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 3524-68-3
Chemical Structure| 3524-68-3
Structure of 3524-68-3 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 3524-68-3 ]

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Product Details of [ 3524-68-3 ]

CAS No. :3524-68-3 MDL No. :MFCD00009607
Formula : C14H18O7 Boiling Point : No data available
Linear Structure Formula :- InChI Key :HVVWZTWDBSEWIH-UHFFFAOYSA-N
M.W : 298.29 Pubchem ID :19042
Synonyms :
Chemical Name :2-((Acryloyloxy)methyl)-2-(hydroxymethyl)propane-1,3-diyl diacrylate

Calculated chemistry of [ 3524-68-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.36
Num. rotatable bonds : 13
Num. H-bond acceptors : 7.0
Num. H-bond donors : 1.0
Molar Refractivity : 72.75
TPSA : 99.13 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.34 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.79
Log Po/w (XLOGP3) : 1.1
Log Po/w (WLOGP) : 0.15
Log Po/w (MLOGP) : 0.68
Log Po/w (SILICOS-IT) : 2.01
Consensus Log Po/w : 1.35

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.52
Solubility : 8.92 mg/ml ; 0.0299 mol/l
Class : Very soluble
Log S (Ali) : -2.77
Solubility : 0.501 mg/ml ; 0.00168 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.37
Solubility : 12.8 mg/ml ; 0.0428 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.31

Safety of [ 3524-68-3 ]

Signal Word:Danger Class:9
Precautionary Statements:P201-P202-P261-P264-P272-P273-P280-P302+P352-P305+P351+P338-P308+P313-P333+P313-P337+P313-P391-P405-P501 UN#:3082
Hazard Statements:H315-H317-H319-H350-H410 Packing Group:
GHS Pictogram:
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