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[ CAS No. 1825392-15-1 ] {[proInfo.proName]}

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Chemical Structure| 1825392-15-1
Chemical Structure| 1825392-15-1
Structure of 1825392-15-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1825392-15-1 ]

CAS No. :1825392-15-1 MDL No. :MFCD28125547
Formula : C25H35Cl2N3O4S Boiling Point : -
Linear Structure Formula :- InChI Key :RCCYSOYYXOWCJC-UHFFFAOYSA-N
M.W : 544.53 Pubchem ID :76764700
Synonyms :

Calculated chemistry of [ 1825392-15-1 ]

Physicochemical Properties

Num. heavy atoms : 35
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.48
Num. rotatable bonds : 12
Num. H-bond acceptors : 6.0
Num. H-bond donors : 1.0
Molar Refractivity : 155.13
TPSA : 92.06 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -7.17 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 3.45
Log Po/w (WLOGP) : 3.35
Log Po/w (MLOGP) : 2.58
Log Po/w (SILICOS-IT) : 4.25
Consensus Log Po/w : 2.73

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.85
Solubility : 0.00767 mg/ml ; 0.0000141 mol/l
Class : Moderately soluble
Log S (Ali) : -5.06
Solubility : 0.00469 mg/ml ; 0.00000862 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -6.85
Solubility : 0.0000771 mg/ml ; 0.000000142 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 4.62

Safety of [ 1825392-15-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:
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