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CAS 6665-78-7 5,7-Diacetoxyflavone molecular structure lightbox
CAS RN: 6665-78-7

5,7-Diacetoxyflavone

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8 package records5 with current stock2 grade groups
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  • Product code: starshine_CAS6665-78-7
  • Purity/Analytical Methods: >99.0%
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6665-78-7 / (5-acetyloxy-4-oxo-2-phenylchromen-7-yl) acetate

Standard CAS: 6665-78-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
6665-78-7
Multi CAS
No
Molecular Formula
C19H14O6
Molecular Weight
338.300000
Exact Mass
338.079038
InChI
InChI=1S/C19H14O6/c1-11(20)23-14-8-17(24-12(2)21)19-15(22)10-16(25-18(19)9-14)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKey
FAVULDRRJPCIGK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
25
Aromatic heavy atom count
16
Fraction Csp3
0.11
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
90.54
TPSA
82.81

LogP / Solubility

WLOGP
3.31
MLOGP
2.93
XLogP3
1.8
Consensus LogP
2.68
Log S (ESOL)
-4.3
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.97
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
2.5

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