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[ CAS No. 153338-23-9 ]

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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| 153338-23-9
Chemical Structure| 153338-23-9
Structure of 153338-23-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 153338-23-9 ]

CAS No. :153338-23-9 MDL No. :MFCD11226643
Formula : C7H3F5O Boiling Point : -
Linear Structure Formula :- InChI Key :CETQITNIBDFSTM-UHFFFAOYSA-N
M.W :198.09 g/mol Pubchem ID :19602036
Synonyms :

Calculated chemistry of [ 153338-23-9 ]

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 2
Num. H-bond acceptors : 6.0
Num. H-bond donors : 0.0
Molar Refractivity : 33.04
TPSA : 9.23 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.17 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.15
Log Po/w (XLOGP3) : 3.3
Log Po/w (WLOGP) : 4.96
Log Po/w (MLOGP) : 3.15
Log Po/w (SILICOS-IT) : 3.26
Consensus Log Po/w : 3.36

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.36
Solubility : 0.0871 mg/ml ; 0.00044 mol/l
Class : Soluble
Log S (Ali) : -3.17
Solubility : 0.134 mg/ml ; 0.000677 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.59
Solubility : 0.0513 mg/ml ; 0.000259 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.67

Safety of [ 153338-23-9 ]

Signal Word:Danger Class:3
Precautionary Statements:P261-P280-P305+P351+P338 UN#:1993
Hazard Statements:H225-H302-H312-H315-H319-H332-H335 Packing Group:
GHS Pictogram:
Historical Records

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