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[ CAS No. 4402-32-8 ] {[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| 4402-32-8
Chemical Structure| 4402-32-8
Structure of 4402-32-8 * Storage: {[proInfo.prStorage]}

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Product Details of [ 4402-32-8 ]

CAS No. :4402-32-8 MDL No. :MFCD00004535
Formula : C7H17NO Boiling Point : -
Linear Structure Formula :- InChI Key :BHUXAQIVYLDUQV-UHFFFAOYSA-N
M.W : 131.22 Pubchem ID :95387
Synonyms :

Calculated chemistry of [ 4402-32-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 39.82
TPSA : 23.47 ?2

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) : -6.57 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.39
Log Po/w (XLOGP3) : 0.75
Log Po/w (WLOGP) : 0.71
Log Po/w (MLOGP) : 0.96
Log Po/w (SILICOS-IT) : 0.41
Consensus Log Po/w : 1.04

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.86
Solubility : 18.0 mg/ml ; 0.137 mol/l
Class : Very soluble
Log S (Ali) : -0.82
Solubility : 19.8 mg/ml ; 0.151 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.03
Solubility : 12.2 mg/ml ; 0.0933 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.26

Safety of [ 4402-32-8 ]

Signal Word:Danger Class:8,3
Precautionary Statements:P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405 UN#:2734
Hazard Statements:H225-H314 Packing Group:
GHS Pictogram:
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