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[ CAS No. 892869-21-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 892869-21-5
Chemical Structure| 892869-21-5
Structure of 892869-21-5 * Storage: {[proInfo.prStorage]}
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Product Details of [ 892869-21-5 ]

CAS No. :892869-21-5 MDL No. :MFCD10700167
Formula : C2HBF3K Boiling Point : -
Linear Structure Formula :- InChI Key :IQENCCCNPRHCMV-UHFFFAOYSA-N
M.W : 131.93 Pubchem ID :46739296
Synonyms :

Calculated chemistry of [ 892869-21-5 ]

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 17.91
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
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) : -5.64 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.06
Log Po/w (WLOGP) : 2.35
Log Po/w (MLOGP) : 1.45
Log Po/w (SILICOS-IT) : 0.28
Consensus Log Po/w : 1.23

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 3.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.96
Solubility : 1.46 mg/ml ; 0.0111 mol/l
Class : Very soluble
Log S (Ali) : -1.69
Solubility : 2.7 mg/ml ; 0.0205 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.75
Solubility : 23.3 mg/ml ; 0.177 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.38

Safety of [ 892869-21-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312-P304+P340+P312-P305+P351+P338-P337+P313-P363-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H302+H312+H332-H319-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
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