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[ CAS No. 74974-61-1 ] {[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| 74974-61-1
Chemical Structure| 74974-61-1
Structure of 74974-61-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 74974-61-1 ]

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Product Details of [ 74974-61-1 ]

CAS No. :74974-61-1 MDL No. :MFCD00143596
Formula : C3AlF9O9S3 Boiling Point : No data available
Linear Structure Formula :- InChI Key :FKOASGGZYSYPBI-UHFFFAOYSA-K
M.W : 474.19 Pubchem ID :2737634
Synonyms :

Calculated chemistry of [ 74974-61-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 25
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 18.0
Num. H-bond donors : 0.0
Molar Refractivity : 47.39
TPSA : 196.74 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -8.5 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 0.97
Log Po/w (WLOGP) : 7.18
Log Po/w (MLOGP) : -0.35
Log Po/w (SILICOS-IT) : 2.23
Consensus Log Po/w : 2.01

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 1.0
Egan : 2.0
Muegge : 3.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.19
Solubility : 0.304 mg/ml ; 0.000641 mol/l
Class : Soluble
Log S (Ali) : -4.69
Solubility : 0.0097 mg/ml ; 0.0000204 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -0.1
Solubility : 378.0 mg/ml ; 0.798 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.53

Safety of [ 74974-61-1 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363 UN#:3261
Hazard Statements:H314 Packing Group:
GHS Pictogram:
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