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[ CAS No. 73468-85-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 73468-85-6
Chemical Structure| 73468-85-6
Structure of 73468-85-6 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 73468-85-6 ]

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Product Details of [ 73468-85-6 ]

CAS No. :73468-85-6 MDL No. :MFCD04974244
Formula : C16H26O2Rh2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :HSFFMOISCNXZCL-MIXQCLKLSA-N
M.W : 456.19 Pubchem ID :11144911
Synonyms :

Calculated chemistry of [ 73468-85-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.5
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 78.89
TPSA : 40.46 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -4.87 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 5.93
Log Po/w (WLOGP) : 4.99
Log Po/w (MLOGP) : 2.69
Log Po/w (SILICOS-IT) : 2.28
Consensus Log Po/w : 3.18

Druglikeness

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

Water Solubility

Log S (ESOL) : -6.4
Solubility : 0.00018 mg/ml ; 0.000000394 mol/l
Class : Poorly soluble
Log S (Ali) : -6.55
Solubility : 0.000127 mg/ml ; 0.000000279 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -1.1
Solubility : 36.0 mg/ml ; 0.0789 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.68

Safety of [ 73468-85-6 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P280-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362 UN#:
Hazard Statements:H315-H319 Packing Group:
GHS Pictogram:
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