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[ CAS No. 16355-92-3 ] {[proInfo.proName]}

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Chemical Structure| 16355-92-3
Chemical Structure| 16355-92-3
Structure of 16355-92-3 * Storage: {[proInfo.prStorage]}

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Product Details of [ 16355-92-3 ]

CAS No. :16355-92-3 MDL No. :MFCD00001086
Formula : C10H20I2 Boiling Point : -
Linear Structure Formula :- InChI Key :CKJCTZAIDVFHCX-UHFFFAOYSA-N
M.W : 394.07 Pubchem ID :85378
Synonyms :
Chemical Name :1,10-Diiododecane

Calculated chemistry of [ 16355-92-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 9
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 76.11
TPSA : 0.0 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -3.87 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.66
Log Po/w (XLOGP3) : 6.81
Log Po/w (WLOGP) : 4.98
Log Po/w (MLOGP) : 5.02
Log Po/w (SILICOS-IT) : 5.37
Consensus Log Po/w : 5.17

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -5.98
Solubility : 0.000413 mg/ml ; 0.00000105 mol/l
Class : Moderately soluble
Log S (Ali) : -6.62
Solubility : 0.000095 mg/ml ; 0.000000241 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -5.75
Solubility : 0.000694 mg/ml ; 0.00000176 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 3.18

Safety of [ 16355-92-3 ]

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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