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[ CAS No. 464-48-2 ] {[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| 464-48-2
Chemical Structure| 464-48-2
Structure of 464-48-2 * Storage: {[proInfo.prStorage]}

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Product Details of [ 464-48-2 ]

CAS No. :464-48-2 MDL No. :MFCD00064148
Formula : C10H16O Boiling Point : -
Linear Structure Formula :- InChI Key :DSSYKIVIOFKYAU-OIBJUYFYSA-N
M.W : 152.23 Pubchem ID :444294
Synonyms :
Chemical Name :(1S,4S)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-one

Calculated chemistry of [ 464-48-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.9
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 45.64
TPSA : 17.07 ?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) : -5.67 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.12
Log Po/w (XLOGP3) : 2.19
Log Po/w (WLOGP) : 2.4
Log Po/w (MLOGP) : 2.3
Log Po/w (SILICOS-IT) : 2.85
Consensus Log Po/w : 2.37

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.16
Solubility : 1.04 mg/ml ; 0.00686 mol/l
Class : Soluble
Log S (Ali) : -2.18
Solubility : 1.0 mg/ml ; 0.00657 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.6
Solubility : 0.383 mg/ml ; 0.00252 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.22

Safety of [ 464-48-2 ]

Signal Word:Danger Class:4.1
Precautionary Statements:P210-P261-P305+P351+P338 UN#:2717
Hazard Statements:H228-H315-H319-H335 Packing Group:
GHS Pictogram:
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