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[ CAS No. 2375248-68-1 ] {[proInfo.proName]}

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Chemical Structure| 2375248-68-1
Chemical Structure| 2375248-68-1
Structure of 2375248-68-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2375248-68-1 ]

CAS No. :2375248-68-1 MDL No. :MFCD31706595
Formula : C9H10Cl2FNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :JGZMSDQRWPOPQO-FJXQXJEOSA-N
M.W : 254.09 Pubchem ID :145711982
Synonyms :

Calculated chemistry of [ 2375248-68-1 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.22
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 57.43
TPSA : 63.32 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.76 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.12
Log Po/w (WLOGP) : 2.66
Log Po/w (MLOGP) : 0.16
Log Po/w (SILICOS-IT) : 1.95
Consensus Log Po/w : 0.98

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.59
Solubility : 6.55 mg/ml ; 0.0258 mol/l
Class : Very soluble
Log S (Ali) : -1.01
Solubility : 25.1 mg/ml ; 0.0988 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.77
Solubility : 0.433 mg/ml ; 0.00171 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.24

Safety of [ 2375248-68-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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