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[ CAS No. 122709-21-1 ] {[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+
Chemical Structure| 122709-21-1
Chemical Structure| 122709-21-1
Structure of 122709-21-1 * Storage: {[proInfo.prStorage]}

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Product Details of [ 122709-21-1 ]

CAS No. :122709-21-1 MDL No. :MFCD09878777
Formula : C13H24N2O5 Boiling Point : No data available
Linear Structure Formula :- InChI Key :USINQMZZDNKSQW-VIFPVBQESA-N
M.W : 288.34 Pubchem ID :14961355
Synonyms :
Chemical Name :(S)-tert-Butyl 4-(methoxy(methyl)carbamoyl)-2,2-dimethyloxazolidine-3-carboxylate

Calculated chemistry of [ 122709-21-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.85
Num. rotatable bonds : 6
Num. H-bond acceptors : 5.0
Num. H-bond donors : 0.0
Molar Refractivity : 76.32
TPSA : 68.31 ?2

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) : -7.31 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.23
Log Po/w (XLOGP3) : 1.06
Log Po/w (WLOGP) : 1.0
Log Po/w (MLOGP) : 0.38
Log Po/w (SILICOS-IT) : -0.03
Consensus Log Po/w : 1.13

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.9
Solubility : 3.63 mg/ml ; 0.0126 mol/l
Class : Very soluble
Log S (Ali) : -2.09
Solubility : 2.37 mg/ml ; 0.00821 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.01
Solubility : 27.9 mg/ml ; 0.0968 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.83

Safety of [ 122709-21-1 ]

Signal Word:Danger Class:4.1
Precautionary Statements:P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313 UN#:1325
Hazard Statements:H228-H315-H319 Packing Group:
GHS Pictogram:
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