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[ CAS No. 13080-90-5 ] {[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| 13080-90-5
Chemical Structure| 13080-90-5
Structure of 13080-90-5 * Storage: {[proInfo.prStorage]}

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Product Details of [ 13080-90-5 ]

CAS No. :13080-90-5 MDL No. :MFCD00167566
Formula : C7H10O Boiling Point : No data available
Linear Structure Formula :- InChI Key :MKOSBHNWXFSHSW-UHFFFAOYSA-N
M.W : 110.15 Pubchem ID :96066
Synonyms :
Chemical Name :Bicyclo[2.2.1]hept-5-en-2-ol

Calculated chemistry of [ 13080-90-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.71
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 32.22
TPSA : 20.23 ?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) : -6.38 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.73
Log Po/w (XLOGP3) : 0.83
Log Po/w (WLOGP) : 0.94
Log Po/w (MLOGP) : 1.35
Log Po/w (SILICOS-IT) : 1.03
Consensus Log Po/w : 1.18

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.05
Solubility : 9.91 mg/ml ; 0.09 mol/l
Class : Very soluble
Log S (Ali) : -0.84
Solubility : 16.0 mg/ml ; 0.145 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.02
Solubility : 105.0 mg/ml ; 0.953 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.48

Safety of [ 13080-90-5 ]

Signal Word:Danger Class:4.1
Precautionary Statements:P210 UN#:1325
Hazard Statements:H228 Packing Group:
GHS Pictogram:
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Technical Information

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