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[ CAS No. 1499-10-1 ] 9,10-Diphenylanthracene

Cat. No.: A244724
Chemical Structure| 1499-10-1
Chemical Structure| 1499-10-1
Structure of 1499-10-1 * Storage: Sealed in dry,Room Temperature
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
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98% 5g $21.00 Inquiry Inquiry
98% 10g $41.00 Inquiry Inquiry
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98% 100g $281.00 Inquiry Inquiry

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* Storage: Sealed in dry,Room Temperature

* Shipping: Normal

Quality Control of [ 1499-10-1 ]

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Product Details of [ 1499-10-1 ]

CAS No. :1499-10-1 MDL No. :MFCD00001253
Formula : C26H18 Boiling Point : No data available
Linear Structure Formula :- InChI Key :FCNCGHJSNVOIKE-UHFFFAOYSA-N
M.W : 330.42 Pubchem ID :15159
Synonyms :

Calculated chemistry of [ 1499-10-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 26
Num. arom. heavy atoms : 26
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 112.33
TPSA : 0.0 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 : No
Log Kp (skin permeation) : -2.31 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.88
Log Po/w (XLOGP3) : 8.46
Log Po/w (WLOGP) : 7.33
Log Po/w (MLOGP) : 7.46
Log Po/w (SILICOS-IT) : 7.15
Consensus Log Po/w : 6.85

Druglikeness

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

Water Solubility

Log S (ESOL) : -7.83
Solubility : 0.00000493 mg/ml ; 0.0000000149 mol/l
Class : Poorly soluble
Log S (Ali) : -8.33
Solubility : 0.00000154 mg/ml ; 0.0000000047 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -10.76
Solubility : 0.0000000058 mg/ml ; 0.0 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.94

Safety of [ 1499-10-1 ]

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

Application In Synthesis of [ 1499-10-1 ]

* 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 [ 1499-10-1 ]

[ 1499-10-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 84-65-1 ]
  • phenylmagnesium bromide [ No CAS ]
  • [ 4981-66-2 ]
  • [ 1499-10-1 ]
  • [ 6318-17-8 ]
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