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[ CAS No. 492-08-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 492-08-0
Chemical Structure| 492-08-0
Structure of 492-08-0 * Storage: {[proInfo.prStorage]}

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Product Details of [ 492-08-0 ]

CAS No. :492-08-0 MDL No. :MFCD00869353
Formula : C15H26N2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :SLRCCWJSBJZJBV-TUVASFSCSA-N
M.W : 234.38 Pubchem ID :7014
Synonyms :
Chemical Name :(7R,7aR,14R,14aS)-Dodecahydro-2H,6H-7,14-methanodipyrido[1,2-a:1',2'-e][1,5]diazocine

Calculated chemistry of [ 492-08-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 79.38
TPSA : 6.48 ?2

Pharmacokinetics

GI absorption : Low
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) : -5.93 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.08
Log Po/w (XLOGP3) : 2.54
Log Po/w (WLOGP) : 1.58
Log Po/w (MLOGP) : 2.88
Log Po/w (SILICOS-IT) : 1.69
Consensus Log Po/w : 2.36

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.89
Solubility : 0.3 mg/ml ; 0.00128 mol/l
Class : Soluble
Log S (Ali) : -2.32
Solubility : 1.11 mg/ml ; 0.00475 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.79
Solubility : 3.76 mg/ml ; 0.016 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.29

Safety of [ 492-08-0 ]

Signal Word:Warning Class:
Precautionary Statements:P501-P270-P264-P280-P337+P313-P301+P312+P330 UN#:
Hazard Statements:H302-H315-H319 Packing Group:
GHS Pictogram:
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