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[ CAS No. 4826-71-5 ] {[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| 4826-71-5
Chemical Structure| 4826-71-5
Structure of 4826-71-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 4826-71-5 ]

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Product Details of [ 4826-71-5 ]

CAS No. :4826-71-5 MDL No. :MFCD00011755
Formula : C5H13CaClNO4P Boiling Point : No data available
Linear Structure Formula :- InChI Key :ICVPTJCCKTXCDT-UHFFFAOYSA-L
M.W : 257.67 Pubchem ID :20968
Synonyms :

Calculated chemistry of [ 4826-71-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 43.38
TPSA : 82.23 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -8.37 cm/s

Lipophilicity

Log Po/w (iLOGP) : -52.64
Log Po/w (XLOGP3) : -0.7
Log Po/w (WLOGP) : -2.32
Log Po/w (MLOGP) : -4.16
Log Po/w (SILICOS-IT) : -1.3
Consensus Log Po/w : -12.22

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.73
Solubility : 47.7 mg/ml ; 0.185 mol/l
Class : Very soluble
Log S (Ali) : -0.55
Solubility : 72.3 mg/ml ; 0.281 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.52
Solubility : 78.5 mg/ml ; 0.305 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.03

Safety of [ 4826-71-5 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P201-P261-P280-P305+P351+P338-P308+P313 UN#:2811
Hazard Statements:H315-H317-H319-H335-H360 Packing Group:
GHS Pictogram:
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