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[ CAS No. 6136-93-2 ] {[proInfo.proName]}

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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| 6136-93-2
Chemical Structure| 6136-93-2
Structure of 6136-93-2 * Storage: {[proInfo.prStorage]}

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Product Details of [ 6136-93-2 ]

CAS No. :6136-93-2 MDL No. :MFCD00043982
Formula : C6H11NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :UDELMRIGXNCYLU-UHFFFAOYSA-N
M.W : 129.16 Pubchem ID :80223
Synonyms :

Calculated chemistry of [ 6136-93-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.83
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 32.88
TPSA : 42.25 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.68 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.85
Log Po/w (XLOGP3) : 0.58
Log Po/w (WLOGP) : 0.91
Log Po/w (MLOGP) : -0.01
Log Po/w (SILICOS-IT) : 0.53
Consensus Log Po/w : 0.77

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.74
Solubility : 23.4 mg/ml ; 0.181 mol/l
Class : Very soluble
Log S (Ali) : -1.04
Solubility : 11.8 mg/ml ; 0.0911 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.04
Solubility : 11.8 mg/ml ; 0.091 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.4

Safety of [ 6136-93-2 ]

Signal Word:Danger Class:3
Precautionary Statements:P261-P280-P305+P351+P338 UN#:1993
Hazard Statements:H225-H302+H312+H332-H315-H319-H335 Packing Group:
GHS Pictogram:
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