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[ CAS No. 304680-35-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 304680-35-1
Chemical Structure| 304680-35-1
Structure of 304680-35-1 * Storage: {[proInfo.prStorage]}

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Product Details of [ 304680-35-1 ]

CAS No. :304680-35-1 MDL No. :MFCD03093296
Formula : C10H19F6N2P Boiling Point : No data available
Linear Structure Formula :- InChI Key :YPWSSSRXUOQNMQ-UHFFFAOYSA-N
M.W : 312.24 Pubchem ID :2734175
Synonyms :

Calculated chemistry of [ 304680-35-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.7
Num. rotatable bonds : 5
Num. H-bond acceptors : 6.0
Num. H-bond donors : 0.0
Molar Refractivity : 66.89
TPSA : 22.4 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -4.21 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 5.63
Log Po/w (WLOGP) : 7.8
Log Po/w (MLOGP) : 2.47
Log Po/w (SILICOS-IT) : 1.6
Consensus Log Po/w : 3.5

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.19
Solubility : 0.00203 mg/ml ; 0.00000649 mol/l
Class : Moderately soluble
Log S (Ali) : -5.86
Solubility : 0.000427 mg/ml ; 0.00000137 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -2.38
Solubility : 1.3 mg/ml ; 0.00418 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.14

Safety of [ 304680-35-1 ]

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