CAS RN: 480-34-2

eugenin

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Batchno.20260305 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: starshine_CAS480-34-2
  • Purity/Analytical Methods: >99.0%
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480-34-2 / 5-hydroxy-7-methoxy-2-methylchromen-4-one

Standard CAS: 480-34-2 Multi CAS: Yes

Basic Information

CAS
480-34-2
Multi CAS
Yes
Molecular Formula
C11H10O4
Molecular Weight
206.190000
Exact Mass
206.057909
InChI
InChI=1S/C11H10O4/c1-6-3-8(12)11-9(13)4-7(14-2)5-10(11)15-6/h3-5,13H,1-2H3
InChIKey
SUTUBQHKZRNZRA-UHFFFAOYSA-N

Physical Properties

Melting Point
119 - 120 °C
Physical Description
Solid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
55.44
TPSA
59.67

LogP / Solubility

WLOGP
1.82
MLOGP
1.6
XLogP3
1.2
Consensus LogP
1.54
Log S (ESOL)
-2.69
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69

Drug-likeness / Medicinal Chemistry

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

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