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[ CAS No. 1425973-14-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1425973-14-3
Chemical Structure| 1425973-14-3
Structure of 1425973-14-3 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 1425973-14-3 ]

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Product Details of [ 1425973-14-3 ]

CAS No. :1425973-14-3 MDL No. :MFCD28385479
Formula : C14H31NO7 Boiling Point : -
Linear Structure Formula :- InChI Key :DIJOLBMLEZIVNG-UHFFFAOYSA-N
M.W : 325.40 Pubchem ID :91757828
Synonyms :

Calculated chemistry of [ 1425973-14-3 ]

Physicochemical Properties

Num. heavy atoms : 22
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 19
Num. H-bond acceptors : 8.0
Num. H-bond donors : 2.0
Molar Refractivity : 79.79
TPSA : 101.63 Ų

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) : -9.9 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.82
Log Po/w (XLOGP3) : -2.28
Log Po/w (WLOGP) : -0.96
Log Po/w (MLOGP) : -1.94
Log Po/w (SILICOS-IT) : 1.55
Consensus Log Po/w : 0.04

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 1.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : 0.83
Solubility : 2210.0 mg/ml ; 6.81 mol/l
Class : Highly soluble
Log S (Ali) : 0.68
Solubility : 1560.0 mg/ml ; 4.79 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : -3.03
Solubility : 0.302 mg/ml ; 0.000927 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.25

Safety of [ 1425973-14-3 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P280-P302+P352-P280-P280-P302+P352 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:
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