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[ CAS No. 1353625-73-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1353625-73-6
Chemical Structure| 1353625-73-6
Structure of 1353625-73-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1353625-73-6 ]

CAS No. :1353625-73-6 MDL No. :MFCD28963961
Formula : C24H30ClN7O3S Boiling Point : -
Linear Structure Formula :- InChI Key :GOFXWTVKPWJNGD-UWJYYQICSA-N
M.W : 532.06 Pubchem ID :58029842
Synonyms :
GS-5806
Chemical Name :N-(2-((S)-2-(5-((S)-3-Aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl)-4-chlorophenyl)methanesulfonamide

Calculated chemistry of [ 1353625-73-6 ]

Physicochemical Properties

Num. heavy atoms : 36
Num. arom. heavy atoms : 15
Fraction Csp3 : 0.46
Num. rotatable bonds : 6
Num. H-bond acceptors : 6.0
Num. H-bond donors : 2.0
Molar Refractivity : 147.19
TPSA : 134.31 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.83 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.34
Log Po/w (XLOGP3) : 2.42
Log Po/w (WLOGP) : 2.77
Log Po/w (MLOGP) : 2.1
Log Po/w (SILICOS-IT) : 0.75
Consensus Log Po/w : 2.28

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.58
Solubility : 0.0141 mg/ml ; 0.0000266 mol/l
Class : Moderately soluble
Log S (Ali) : -4.88
Solubility : 0.00697 mg/ml ; 0.0000131 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -5.68
Solubility : 0.00111 mg/ml ; 0.00000208 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.58

Safety of [ 1353625-73-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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