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[ CAS No. 164298-27-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 164298-27-5
Chemical Structure| 164298-27-5
Structure of 164298-27-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 164298-27-5 ]

CAS No. :164298-27-5 MDL No. :MFCD01863767
Formula : C5H10F7N2P Boiling Point : -
Linear Structure Formula :- InChI Key :HZQRHQLFHYEODY-UHFFFAOYSA-N
M.W : 262.11 Pubchem ID :10945225
Synonyms :

Calculated chemistry of [ 164298-27-5 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 0
Num. H-bond acceptors : 7.0
Num. H-bond donors : 0.0
Molar Refractivity : 52.53
TPSA : 19.84 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.72 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 3.07
Log Po/w (WLOGP) : 5.46
Log Po/w (MLOGP) : 1.73
Log Po/w (SILICOS-IT) : 0.06
Consensus Log Po/w : 2.06

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.4
Solubility : 0.105 mg/ml ; 0.000399 mol/l
Class : Soluble
Log S (Ali) : -3.15
Solubility : 0.184 mg/ml ; 0.000702 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.08
Solubility : 21.6 mg/ml ; 0.0824 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.37

Safety of [ 164298-27-5 ]

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