Home Cart 0 Sign in  

[ CAS No. 345967-22-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 345967-22-8
Chemical Structure| 345967-22-8
Structure of 345967-22-8 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 345967-22-8 ]

Related Doc. of [ 345967-22-8 ]

Alternatived Products of [ 345967-22-8 ]

Product Details of [ 345967-22-8 ]

CAS No. :345967-22-8 MDL No. :MFCD03426988
Formula : C22H18NO2P Boiling Point : -
Linear Structure Formula :- InChI Key :QCHAVHXSBZARBO-UHFFFAOYSA-N
M.W : 359.36 Pubchem ID :10893715
Synonyms :

Calculated chemistry of [ 345967-22-8 ]

Physicochemical Properties

Num. heavy atoms : 26
Num. arom. heavy atoms : 23
Fraction Csp3 : 0.09
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 111.28
TPSA : 29.52 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -4.17 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.75
Log Po/w (XLOGP3) : 6.09
Log Po/w (WLOGP) : 6.79
Log Po/w (MLOGP) : 3.82
Log Po/w (SILICOS-IT) : 4.34
Consensus Log Po/w : 4.96

Druglikeness

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

Water Solubility

Log S (ESOL) : -6.49
Solubility : 0.000115 mg/ml ; 0.000000321 mol/l
Class : Poorly soluble
Log S (Ali) : -6.49
Solubility : 0.000116 mg/ml ; 0.000000323 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -8.54
Solubility : 0.00000103 mg/ml ; 0.0000000029 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 4.26

Safety of [ 345967-22-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 345967-22-8 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 345967-22-8 ]

[ 345967-22-8 ] Synthesis Path-Downstream   1~5

  • 1
  • silver hexafluoroantimonate [ No CAS ]
  • [ 12354-84-6 ]
  • [ 27911-63-3 ]
  • [ 157488-65-8 ]
  • RIrRaxRc-[(η5-C5Me5)IrCl((R)-(C5H4NCHOHMe))]((R)-(C10H6O)2PNMe2)[SbF6] [ No CAS ]
  • SIrRaxRc-[(η5-C5Me5)IrCl((R)-(C5H4NCHOHMe))]((R)-(C10H6O)2PNMe2)[SbF6] [ No CAS ]
  • 2
  • silver hexafluoroantimonate [ No CAS ]
  • dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer [ No CAS ]
  • [ 27911-63-3 ]
  • [ 157488-65-8 ]
  • RRhRaxRc-[(η5-C5Me5)RhCl((R)-(C5H4NCHOHMe))]((R)-(C10H6O)2PNMe2)[SbF6] [ No CAS ]
  • SRhRaxRc-[(η5-C5Me5)RhCl((R)-(C5H4NCHOHMe))]((R)-(C10H6O)2PNMe2)[SbF6] [ No CAS ]
  • 3
  • silver hexafluoroantimonate [ No CAS ]
  • dichloro(pentamethylcyclopentadienyl)rhodium (III) dimer [ No CAS ]
  • [ 59042-90-9 ]
  • [ 157488-65-8 ]
  • RRhRaxSc-[(η5-C5Me5)RhCl((S)-(C5H4NCHOHMe))]((R)-(C10H6O)2PNMe2)[SbF6] [ No CAS ]
  • SRhRaxSc-[(η5-C5Me5)RhCl((S)-(C5H4NCHOHMe))]((R)-(C10H6O)2PNMe2)[SbF6] [ No CAS ]
  • 4
  • silver hexafluoroantimonate [ No CAS ]
  • [ 52462-29-0 ]
  • [ 27911-63-3 ]
  • [ 157488-65-8 ]
  • RRuRaxRc-[(η6-p-MeC6H4iPr)RuCl((R)-(C5H4NCHOHMe))]((R)-(C10H6O)2PNMe2)[SbF6] [ No CAS ]
  • SRuRaxRc-[(η6-p-MeC6H4iPr)RuCl((R)-(C5H4NCHOHMe))]((R)-(C10H6O)2PNMe2)[SbF6] [ No CAS ]
  • 5
  • silver hexafluoroantimonate [ No CAS ]
  • [ 52462-29-0 ]
  • [ 27911-63-3 ]
  • [ 157488-65-8 ]
  • SRuSaxRc-[(η6-p-MeC6H4iPr)RuCl((R)-(C5H4NCHOHMe))]((S)-(C10H6O)2PNMe2)[SbF6] [ No CAS ]
  • RRuSaxRc-[(η6-p-MeC6H4iPr)RuCl((R)-(C5H4NCHOHMe))]((S)-(C10H6O)2PNMe2)[SbF6] [ No CAS ]
Same Skeleton Products
Historical Records