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[ CAS No. 76189-55-4 ] {[proInfo.proName]}

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Chemical Structure| 76189-55-4
Chemical Structure| 76189-55-4
Structure of 76189-55-4 * Storage: {[proInfo.prStorage]}

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Product Details of [ 76189-55-4 ]

CAS No. :76189-55-4 MDL No. :MFCD00010805
Formula : C44H32P2 Boiling Point : No data available
Linear Structure Formula :[((C6H5)2PC10H6)2] InChI Key :-
M.W : 622.67 Pubchem ID :-
Synonyms :
Chemical Name :(R)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

Calculated chemistry of [ 76189-55-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 46
Num. arom. heavy atoms : 44
Fraction Csp3 : 0.0
Num. rotatable bonds : 7
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 204.3
TPSA : 27.18 ?2

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) : -1.99 cm/s

Lipophilicity

Log Po/w (iLOGP) : 5.36
Log Po/w (XLOGP3) : 11.42
Log Po/w (WLOGP) : 9.18
Log Po/w (MLOGP) : 9.23
Log Po/w (SILICOS-IT) : 12.45
Consensus Log Po/w : 9.53

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 3.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -11.14
Solubility : 0.0000000045 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (Ali) : -11.97
Solubility : 0.0000000007 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -18.22
Solubility : 3.75e-16 mg/ml ; 6.03e-19 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 5.94

Safety of [ 76189-55-4 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:
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[ 76189-55-4 ]

Chemical Structure| 76189-56-5

A376699[ 76189-56-5 ]

(S)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthalene

Reason: Optical isomers

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