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[ CAS No. 32444-34-1 ] {[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+
3d Animation Molecule Structure of 32444-34-1
Chemical Structure| 32444-34-1
Chemical Structure| 32444-34-1
Structure of 32444-34-1 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 32444-34-1 ]

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Product Details of [ 32444-34-1 ]

CAS No. :32444-34-1 MDL No. :MFCD00089635
Formula : C7H16O Boiling Point : -
Linear Structure Formula :- InChI Key :OXFFPTMSBXBVLZ-UHFFFAOYSA-N
M.W : 116.20 Pubchem ID :298856
Synonyms :

Calculated chemistry of [ 32444-34-1 ]

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 36.92
TPSA : 20.23 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) : -5.57 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.17
Log Po/w (XLOGP3) : 2.02
Log Po/w (WLOGP) : 1.66
Log Po/w (MLOGP) : 1.89
Log Po/w (SILICOS-IT) : 1.37
Consensus Log Po/w : 1.82

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.64
Solubility : 2.69 mg/ml ; 0.0232 mol/l
Class : Very soluble
Log S (Ali) : -2.07
Solubility : 0.984 mg/ml ; 0.00847 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.32
Solubility : 5.57 mg/ml ; 0.048 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.14

Safety of [ 32444-34-1 ]

Signal Word:Danger Class:3
Precautionary Statements:P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235 UN#:1987
Hazard Statements:H225-H315-H319 Packing Group:
GHS Pictogram:
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