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[ CAS No. 2377609-51-1 ] {[proInfo.proName]}

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Chemical Structure| 2377609-51-1
Chemical Structure| 2377609-51-1
Structure of 2377609-51-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2377609-51-1 ]

CAS No. :2377609-51-1 MDL No. :MFCD22383764
Formula : C27H39B2NO4 Boiling Point : -
Linear Structure Formula :- InChI Key :GIAZDDXGJISFCJ-UHFFFAOYSA-N
M.W : 463.23 Pubchem ID :74890421
Synonyms :

Calculated chemistry of [ 2377609-51-1 ]

Physicochemical Properties

Num. heavy atoms : 34
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.56
Num. rotatable bonds : 6
Num. H-bond acceptors : 5.0
Num. H-bond donors : 0.0
Molar Refractivity : 141.36
TPSA : 40.16 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.42 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 5.22
Log Po/w (WLOGP) : 3.61
Log Po/w (MLOGP) : 2.39
Log Po/w (SILICOS-IT) : 3.41
Consensus Log Po/w : 2.93

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.87
Solubility : 0.000631 mg/ml ; 0.00000136 mol/l
Class : Moderately soluble
Log S (Ali) : -5.81
Solubility : 0.000715 mg/ml ; 0.00000154 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -8.51
Solubility : 0.00000144 mg/ml ; 0.0000000031 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.97

Safety of [ 2377609-51-1 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 UN#:
Hazard Statements:H315-H319 Packing Group:
GHS Pictogram:
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