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[ CAS No. 13492-01-8 ] {[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| 13492-01-8
Chemical Structure| 13492-01-8
Structure of 13492-01-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 13492-01-8 ]

CAS No. :13492-01-8 MDL No. :MFCD00079222
Formula : C18H24N2O4S Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 364.46 Pubchem ID :-
Synonyms :
SKF 385 hemisulfate;Parnate;Tranylcypromine Sulfate
Chemical Name :trans-2-Phenylcyclopropanamine hemisulfate

Calculated chemistry of [ 13492-01-8 ]

Physicochemical Properties

Num. heavy atoms : 25
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.33
Num. rotatable bonds : 2
Num. H-bond acceptors : 6.0
Num. H-bond donors : 4.0
Molar Refractivity : 97.45
TPSA : 135.02 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -9.19 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.54
Log Po/w (XLOGP3) : -0.94
Log Po/w (WLOGP) : 3.43
Log Po/w (MLOGP) : 1.51
Log Po/w (SILICOS-IT) : 1.83
Consensus Log Po/w : 1.47

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.73
Solubility : 6.78 mg/ml ; 0.0186 mol/l
Class : Very soluble
Log S (Ali) : -1.41
Solubility : 14.1 mg/ml ; 0.0388 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.37
Solubility : 1.54 mg/ml ; 0.00424 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.25

Safety of [ 13492-01-8 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P280-P302+P352+P312-P304+P340+P312-P403+P233 UN#:2811
Hazard Statements:H300-H311+H331 Packing Group:
GHS Pictogram:
Same Skeleton Products
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Similar Product of
[ 13492-01-8 ]

Chemical Structure| 155-09-9

A789635[ 155-09-9 ]

trans-2-Phenylcyclopropanamine

Reason: Free-salt