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[ CAS No. 480-39-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 480-39-7
Chemical Structure| 480-39-7
Structure of 480-39-7 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 480-39-7 ]

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Product Details of [ 480-39-7 ]

CAS No. :480-39-7 MDL No. :MFCD06858345
Formula : C15H12O4 Boiling Point : -
Linear Structure Formula :- InChI Key :URFCJEUYXNAHFI-ZDUSSCGKSA-N
M.W : 256.25 Pubchem ID :68071
Synonyms :
(+)-Pinocoembrin;Dihydrochrysin;NSC 279005;(+)-Pinocembrin;Galangin flavanone
Chemical Name :(S)-5,7-Dihydroxy-2-Phenylchroman-4-One

Calculated chemistry of [ 480-39-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.13
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 69.55
TPSA : 66.76 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.82 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.11
Log Po/w (XLOGP3) : 2.88
Log Po/w (WLOGP) : 2.48
Log Po/w (MLOGP) : 1.27
Log Po/w (SILICOS-IT) : 2.55
Consensus Log Po/w : 2.26

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.64
Solubility : 0.0581 mg/ml ; 0.000227 mol/l
Class : Soluble
Log S (Ali) : -3.94
Solubility : 0.0293 mg/ml ; 0.000114 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.0
Solubility : 0.0258 mg/ml ; 0.000101 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.96

Safety of [ 480-39-7 ]

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:

Application In Synthesis of [ 480-39-7 ]

* 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 [ 480-39-7 ]

[ 480-39-7 ] Synthesis Path-Downstream   1~12

  • 1
  • [ 108-73-6 ]
  • [ 21947-71-7 ]
  • [ 480-39-7 ]
  • 2
  • [ 480-40-0 ]
  • [ 480-39-7 ]
  • 3
  • [ 480-39-7 ]
  • [ 127-09-3 ]
  • [ 108-24-7 ]
  • [ 88503-16-6 ]
  • 8
  • [ 480-39-7 ]
  • [ 108-24-7 ]
  • [ 140632-64-0 ]
  • 9
  • [ 480-39-7 ]
  • [ 100-39-0 ]
  • [ 120980-33-8 ]
  • 10
  • [ 480-39-7 ]
  • [ 75-36-5 ]
  • [ 140632-64-0 ]
  • 12
  • [ 480-39-7 ]
  • [ 572-09-8 ]
  • (Ξ)-5-hydroxy-2-phenyl-7-(tetra-<i>O</i>-acetyl-β-D-glucopyranosyloxy)-chroman-4-one [ No CAS ]
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