CAS RN: 6665-67-4

5,4′-DIHYDROXYFLAVONE

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  • Product code: starshine_CAS6665-67-4
  • Purity/Analytical Methods: >99.0%
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6665-67-4 / 5-hydroxy-2-(4-hydroxyphenyl)chromen-4-one

Standard CAS: 6665-67-4 Multi CAS: Yes

Basic Information

CAS
6665-67-4
Multi CAS
Yes
Molecular Formula
C15H10O4
Molecular Weight
254.240000
Exact Mass
254.057909
InChI
InChI=1S/C15H10O4/c16-10-6-4-9(5-7-10)14-8-12(18)15-11(17)2-1-3-13(15)19-14/h1-8,16-17H
InChIKey
OKRNDQLCMXUCGG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
71.25
TPSA
70.67

LogP / Solubility

WLOGP
2.87
MLOGP
2.53
XLogP3
2.1
Consensus LogP
2.5
Log S (ESOL)
-3.78
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble

ADME

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)
-2.23

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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