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[ CAS No. 149394-66-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 149394-66-1
Chemical Structure| 149394-66-1
Structure of 149394-66-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 149394-66-1 ]

CAS No. :149394-66-1 MDL No. :MFCD16556167
Formula : C8H18N3O8P Boiling Point : -
Linear Structure Formula :- InChI Key :FPKARFMSZDBYQF-ILKKLZGPSA-N
M.W : 315.22 Pubchem ID :60933
Synonyms :
(S)-HPMPC dihydrate;GS 0504 dihydrate;Cidofovir hydrate;HPMPC dihydrate

Calculated chemistry of [ 149394-66-1 ]

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.5
Num. rotatable bonds : 6
Num. H-bond acceptors : 9.0
Num. H-bond donors : 6.0
Molar Refractivity : 67.91
TPSA : 176.17 Ų

Pharmacokinetics

GI absorption : Low
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) : -11.46 cm/s

Lipophilicity

Log Po/w (iLOGP) : -1.89
Log Po/w (XLOGP3) : -4.56
Log Po/w (WLOGP) : -1.78
Log Po/w (MLOGP) : -3.79
Log Po/w (SILICOS-IT) : -2.41
Consensus Log Po/w : -2.88

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 3.0
Bioavailability Score : 0.11

Water Solubility

Log S (ESOL) : 1.25
Solubility : 5640.0 mg/ml ; 17.9 mol/l
Class : Highly soluble
Log S (Ali) : 1.48
Solubility : 9540.0 mg/ml ; 30.3 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.33
Solubility : 674.0 mg/ml ; 2.14 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.62

Safety of [ 149394-66-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H317-H319-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
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