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[ CAS No. 92557-80-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 92557-80-7
Chemical Structure| 92557-80-7
Structure of 92557-80-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 92557-80-7 ]

CAS No. :92557-80-7 MDL No. :MFCD00077322
Formula : C25H15NO9 Boiling Point : -
Linear Structure Formula :- InChI Key :GECIDMICWWDIBO-UHFFFAOYSA-N
M.W : 473.39 Pubchem ID :2762599
Synonyms :
5-Carboxyfluorescein N-Succinimidyl Ester;CFSE;5-FAM N-succinimidyl ester;5-Carboxyfluorescein-N-hydroxysuccinimide ester;5-Carboxyfluorescein NHS ester

Calculated chemistry of [ 92557-80-7 ]

Physicochemical Properties

Num. heavy atoms : 35
Num. arom. heavy atoms : 18
Fraction Csp3 : 0.12
Num. rotatable bonds : 3
Num. H-bond acceptors : 9.0
Num. H-bond donors : 2.0
Molar Refractivity : 119.54
TPSA : 139.67 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.49 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.17
Log Po/w (XLOGP3) : 2.39
Log Po/w (WLOGP) : 2.4
Log Po/w (MLOGP) : 1.83
Log Po/w (SILICOS-IT) : 2.5
Consensus Log Po/w : 2.26

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.46
Solubility : 0.0163 mg/ml ; 0.0000344 mol/l
Class : Moderately soluble
Log S (Ali) : -4.96
Solubility : 0.00514 mg/ml ; 0.0000109 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -5.95
Solubility : 0.000535 mg/ml ; 0.00000113 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.41

Safety of [ 92557-80-7 ]

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