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[ CAS No. 1120-49-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1120-49-6
Chemical Structure| 1120-49-6
Structure of 1120-49-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 1120-49-6 ]

CAS No. :1120-49-6 MDL No. :MFCD00048396
Formula : C20H43N Boiling Point : -
Linear Structure Formula :- InChI Key :GMTCPFCMAHMEMT-UHFFFAOYSA-N
M.W : 297.56 Pubchem ID :14261
Synonyms :

Calculated chemistry of [ 1120-49-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 18
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 101.06
TPSA : 12.03 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -1.87 cm/s

Lipophilicity

Log Po/w (iLOGP) : 5.45
Log Po/w (XLOGP3) : 8.8
Log Po/w (WLOGP) : 6.86
Log Po/w (MLOGP) : 5.39
Log Po/w (SILICOS-IT) : 7.25
Consensus Log Po/w : 6.75

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 3.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -6.04
Solubility : 0.000271 mg/ml ; 0.00000091 mol/l
Class : Poorly soluble
Log S (Ali) : -8.94
Solubility : 0.000000345 mg/ml ; 0.0000000012 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -7.98
Solubility : 0.0000031 mg/ml ; 0.0000000104 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.49

Safety of [ 1120-49-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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