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[ CAS No. 869943-41-9 ] {[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+
3d Animation Molecule Structure of 869943-41-9
Chemical Structure| 869943-41-9
Chemical Structure| 869943-41-9
Structure of 869943-41-9 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 869943-41-9 ]

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Product Details of [ 869943-41-9 ]

CAS No. :869943-41-9 MDL No. :MFCD04971085
Formula : C13H20N2 Boiling Point : -
Linear Structure Formula :- InChI Key :JQTKKEFYFDIAPG-UHFFFAOYSA-N
M.W : 204.31 Pubchem ID :19616720
Synonyms :

Calculated chemistry of [ 869943-41-9 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.54
Num. rotatable bonds : 2
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 68.37
TPSA : 29.26 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.0 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.39
Log Po/w (XLOGP3) : 2.18
Log Po/w (WLOGP) : 1.85
Log Po/w (MLOGP) : 2.28
Log Po/w (SILICOS-IT) : 2.23
Consensus Log Po/w : 2.19

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.64
Solubility : 0.464 mg/ml ; 0.00227 mol/l
Class : Soluble
Log S (Ali) : -2.43
Solubility : 0.763 mg/ml ; 0.00373 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.33
Solubility : 0.0956 mg/ml ; 0.000468 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.48

Safety of [ 869943-41-9 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338 UN#:2735
Hazard Statements:H314 Packing Group:
GHS Pictogram:
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