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[ CAS No. 1624261-87-5 ] {[proInfo.proName]}

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Chemical Structure| 1624261-87-5
Chemical Structure| 1624261-87-5
Structure of 1624261-87-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1624261-87-5 ]

CAS No. :1624261-87-5 MDL No. :MFCD28125516
Formula : C13H25ClN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :FSJXIJBRVLIWDE-UHFFFAOYSA-N
M.W : 276.80 Pubchem ID :86280112
Synonyms :

Calculated chemistry of [ 1624261-87-5 ]

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.92
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 78.31
TPSA : 55.56 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.6 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 1.96
Log Po/w (WLOGP) : 2.4
Log Po/w (MLOGP) : 1.97
Log Po/w (SILICOS-IT) : 1.23
Consensus Log Po/w : 1.51

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.53
Solubility : 0.823 mg/ml ; 0.00297 mol/l
Class : Soluble
Log S (Ali) : -2.75
Solubility : 0.49 mg/ml ; 0.00177 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.87
Solubility : 3.77 mg/ml ; 0.0136 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.29

Safety of [ 1624261-87-5 ]

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:
Same Skeleton Products
Historical Records

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