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[ CAS No. 321674-73-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 321674-73-1
Chemical Structure| 321674-73-1
Structure of 321674-73-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 321674-73-1 ]

CAS No. :321674-73-1 MDL No. :MFCD11112195
Formula : C21H17NO3 Boiling Point : -
Linear Structure Formula :- InChI Key :PGFQXGLPJUCTOI-WYMLVPIESA-N
M.W : 331.36 Pubchem ID :9927531
Synonyms :
Telomerase Inhibitor X

Calculated chemistry of [ 321674-73-1 ]

Physicochemical Properties

Num. heavy atoms : 25
Num. arom. heavy atoms : 16
Fraction Csp3 : 0.05
Num. rotatable bonds : 5
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 99.64
TPSA : 66.4 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.68 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.33
Log Po/w (XLOGP3) : 5.13
Log Po/w (WLOGP) : 4.39
Log Po/w (MLOGP) : 3.69
Log Po/w (SILICOS-IT) : 3.89
Consensus Log Po/w : 3.89

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -5.27
Solubility : 0.00178 mg/ml ; 0.00000537 mol/l
Class : Moderately soluble
Log S (Ali) : -6.27
Solubility : 0.000178 mg/ml ; 0.000000538 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -6.41
Solubility : 0.000128 mg/ml ; 0.000000385 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.53

Safety of [ 321674-73-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
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