Home Cart 0 Sign in  

[ CAS No. 483-76-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
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| 483-76-1
Chemical Structure| 483-76-1
Structure of 483-76-1 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 483-76-1 ]

Related Doc. of [ 483-76-1 ]

Alternatived Products of [ 483-76-1 ]

Product Details of [ 483-76-1 ]

CAS No. :483-76-1 MDL No. :MFCD02683434
Formula : C15H24 Boiling Point : -
Linear Structure Formula :- InChI Key :FUCYIEXQVQJBKY-ZFWWWQNUSA-N
M.W : 204.35 Pubchem ID :441005
Synonyms :
Chemical Name :(1S,8aR)-1-Isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene

Calculated chemistry of [ 483-76-1 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.73
Num. rotatable bonds : 1
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 69.04
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.85 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.41
Log Po/w (XLOGP3) : 3.8
Log Po/w (WLOGP) : 4.73
Log Po/w (MLOGP) : 4.63
Log Po/w (SILICOS-IT) : 4.12
Consensus Log Po/w : 4.14

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.43
Solubility : 0.0751 mg/ml ; 0.000367 mol/l
Class : Soluble
Log S (Ali) : -3.49
Solubility : 0.0655 mg/ml ; 0.00032 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.52
Solubility : 0.0619 mg/ml ; 0.000303 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 4.14

Safety of [ 483-76-1 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P501-P331-P301+P310-P405 UN#:2810
Hazard Statements:H304 Packing Group:
GHS Pictogram:
Same Skeleton Products
Historical Records