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[ CAS No. 17902-23-7 ] {[proInfo.proName]}

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Chemical Structure| 17902-23-7
Chemical Structure| 17902-23-7
Structure of 17902-23-7 * Storage: {[proInfo.prStorage]}

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Product Details of [ 17902-23-7 ]

CAS No. :17902-23-7 MDL No. :MFCD00012351
Formula : C8H9FN2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :WFWLQNSHRPWKFK-UHFFFAOYSA-N
M.W : 200.17 Pubchem ID :5386
Synonyms :
Ftorafur; FT 27; NSC-148958
Chemical Name :5-Fluoro-1-(tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione

Calculated chemistry of [ 17902-23-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.5
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 45.93
TPSA : 64.09 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.71 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.43
Log Po/w (XLOGP3) : -0.27
Log Po/w (WLOGP) : 0.08
Log Po/w (MLOGP) : 0.27
Log Po/w (SILICOS-IT) : 1.4
Consensus Log Po/w : 0.58

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.16
Solubility : 13.8 mg/ml ; 0.0689 mol/l
Class : Very soluble
Log S (Ali) : -0.62
Solubility : 48.4 mg/ml ; 0.242 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.54
Solubility : 5.71 mg/ml ; 0.0285 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.88

Safety of [ 17902-23-7 ]

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