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[ CAS No. 2043361-32-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 2043361-32-4
Chemical Structure| 2043361-32-4
Structure of 2043361-32-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2043361-32-4 ]

CAS No. :2043361-32-4 MDL No. :MFCD30725740
Formula : C27H36BF5N2 Boiling Point : -
Linear Structure Formula :- InChI Key :ZXIKPDSPOFQTLH-UHFFFAOYSA-N
M.W : 494.39 Pubchem ID :124203184
Synonyms :

Calculated chemistry of [ 2043361-32-4 ]

Physicochemical Properties

Num. heavy atoms : 35
Num. arom. heavy atoms : 17
Fraction Csp3 : 0.44
Num. rotatable bonds : 6
Num. H-bond acceptors : 5.0
Num. H-bond donors : 0.0
Molar Refractivity : 137.9
TPSA : 8.81 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -1.78 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 10.62
Log Po/w (WLOGP) : 10.79
Log Po/w (MLOGP) : 6.45
Log Po/w (SILICOS-IT) : 7.09
Consensus Log Po/w : 6.99

Druglikeness

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

Water Solubility

Log S (ESOL) : -9.56
Solubility : 0.000000136 mg/ml ; 0.0000000003 mol/l
Class : Poorly soluble
Log S (Ali) : -10.76
Solubility : 0.0000000087 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -8.11
Solubility : 0.00000386 mg/ml ; 0.0000000078 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.65

Safety of [ 2043361-32-4 ]

Signal Word:Danger Class:8
Precautionary Statements:P501-P264-P280-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P405 UN#:1759
Hazard Statements:H314 Packing Group:
GHS Pictogram:
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