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[ CAS No. 819867-24-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 819867-24-8
Chemical Structure| 819867-24-8
Structure of 819867-24-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 819867-24-8 ]

CAS No. :819867-24-8 MDL No. :MFCD22199795
Formula : C26H23O2P Boiling Point : -
Linear Structure Formula :- InChI Key :SCPQRAVWOIURIW-UHFFFAOYSA-N
M.W : 398.43 Pubchem ID :71651621
Synonyms :

Calculated chemistry of [ 819867-24-8 ]

Physicochemical Properties

Num. heavy atoms : 29
Num. arom. heavy atoms : 24
Fraction Csp3 : 0.08
Num. rotatable bonds : 6
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 123.57
TPSA : 32.05 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.34 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.99
Log Po/w (XLOGP3) : 6.18
Log Po/w (WLOGP) : 5.13
Log Po/w (MLOGP) : 5.22
Log Po/w (SILICOS-IT) : 7.11
Consensus Log Po/w : 5.53

Druglikeness

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

Water Solubility

Log S (ESOL) : -6.42
Solubility : 0.000151 mg/ml ; 0.00000038 mol/l
Class : Poorly soluble
Log S (Ali) : -6.64
Solubility : 0.0000919 mg/ml ; 0.000000231 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -10.24
Solubility : 0.0000000231 mg/ml ; 0.0000000001 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 4.38

Safety of [ 819867-24-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338-P310 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:
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