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[ CAS No. 2328069-09-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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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 2328069-09-4
Chemical Structure| 2328069-09-4
Chemical Structure| 2328069-09-4
Structure of 2328069-09-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2328069-09-4 ]

CAS No. :2328069-09-4 MDL No. :MFCD32852422
Formula : C7H11N2OP Boiling Point : -
Linear Structure Formula :- InChI Key :VJLIBOQRHZYFDC-UHFFFAOYSA-N
M.W :170.15 Pubchem ID :153061024
Synonyms :

Calculated chemistry of [ 2328069-09-4 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.29
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 47.61
TPSA : 65.79 Ų

Pharmacokinetics

GI absorption : High
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) : -7.68 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.9
Log Po/w (XLOGP3) : -0.48
Log Po/w (WLOGP) : 0.92
Log Po/w (MLOGP) : -0.08
Log Po/w (SILICOS-IT) : 0.57
Consensus Log Po/w : 0.37

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.93
Solubility : 20.0 mg/ml ; 0.117 mol/l
Class : Very soluble
Log S (Ali) : -0.43
Solubility : 62.5 mg/ml ; 0.368 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.45
Solubility : 0.601 mg/ml ; 0.00353 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.46

Safety of [ 2328069-09-4 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P260-P264-P270-P271-P273-P280-P301+P310-P302+P352-P304+P340-P311-P312-P321-P322-P330-P361-P363-P391-P403+P233-P405-P501 UN#:2811
Hazard Statements:H301-H311-H331-H410 Packing Group:
GHS Pictogram:
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