CAS RN: 437-64-9

4′,5-DIHYDROXY-7-METHOXYFLAVONE

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  • Product code: starshine_CAS437-64-9
  • Purity/Analytical Methods: >99.0%
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437-64-9 / 5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one

Standard CAS: 437-64-9 Multi CAS: Yes

Basic Information

CAS
437-64-9
Multi CAS
Yes
Molecular Formula
C16H12O5
Molecular Weight
284.260000
Exact Mass
284.068473
InChI
InChI=1S/C16H12O5/c1-20-11-6-12(18)16-13(19)8-14(21-15(16)7-11)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
InChIKey
JPMYFOBNRRGFNO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
21
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
2
Molar refractivity
77.8
TPSA
79.9

LogP / Solubility

WLOGP
2.88
MLOGP
2.54
XLogP3
2.1
Consensus LogP
2.51
Log S (ESOL)
-3.85
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.14
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)
-2.41

Drug-likeness / Medicinal Chemistry

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

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