CAS RN: 486-63-5

4”-HYDROXY-7-METHOXYISOFLAVONE

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8 package records7 with current stock2 grade groups
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  • Product code: starshine_CAS486-63-5
  • Purity/Analytical Methods: >99.0%
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486-63-5 / 3-(4-hydroxyphenyl)-7-methoxychromen-4-one

Standard CAS: 486-63-5 Multi CAS: Yes

Basic Information

CAS
486-63-5
Multi CAS
Yes
Molecular Formula
C16H12O4
Molecular Weight
268.260000
Exact Mass
268.073559
InChI
InChI=1S/C16H12O4/c1-19-12-6-7-13-15(8-12)20-9-14(16(13)18)10-2-4-11(17)5-3-10/h2-9,17H,1H3
InChIKey
LNIQZRIHAMVRJA-UHFFFAOYSA-N

Physical Properties

Melting Point
218 - 220 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
16
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
76.14
TPSA
59.67

LogP / Solubility

WLOGP
3.17
MLOGP
2.8
XLogP3
2.8
Consensus LogP
2.92
Log S (ESOL)
-3.96
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.05
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly 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)
-2.1

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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