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[ CAS No. 654058-04-5 ] {[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| 654058-04-5
Chemical Structure| 654058-04-5
Structure of 654058-04-5 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 654058-04-5 ]

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Product Details of [ 654058-04-5 ]

CAS No. :654058-04-5 MDL No. :MFCD08275369
Formula : C7H15N2O4P Boiling Point : -
Linear Structure Formula :- InChI Key :GSGLHYXFTXGIAQ-UHFFFAOYSA-M
M.W : 222.18 Pubchem ID :16069365
Synonyms :

Calculated chemistry of [ 654058-04-5 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.57
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 51.48
TPSA : 77.21 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) : -8.27 cm/s

Lipophilicity

Log Po/w (iLOGP) : -2.24
Log Po/w (XLOGP3) : -0.87
Log Po/w (WLOGP) : 0.67
Log Po/w (MLOGP) : -1.17
Log Po/w (SILICOS-IT) : 0.01
Consensus Log Po/w : -0.72

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.8
Solubility : 35.1 mg/ml ; 0.158 mol/l
Class : Very soluble
Log S (Ali) : -0.27
Solubility : 119.0 mg/ml ; 0.537 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.28
Solubility : 117.0 mg/ml ; 0.527 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.45

Safety of [ 654058-04-5 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338 UN#:3265
Hazard Statements:H314 Packing Group:
GHS Pictogram:
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