CAS RN: 480-12-6
Eugenitin
Product Availability
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3 package records3 with current stock1 grade group
- Product code: starshine_CAS480-12-6
- Purity/Analytical Methods: >99.0%
480-12-6 / 5-hydroxy-7-methoxy-2,6-dimethylchromen-4-one
Basic Information
CAS
480-12-6
Multi CAS
Yes
Molecular Formula
C12H12O4
Molecular Weight
220.220000
Exact Mass
220.073559
InChI
InChI=1S/C12H12O4/c1-6-4-8(13)11-10(16-6)5-9(15-3)7(2)12(11)14/h4-5,14H,1-3H3
InChIKey
RGTSAUBIQAKKLC-UHFFFAOYSA-N
Physical Properties
Melting Point
162 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
10
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
60.17
TPSA
59.67
LogP / Solubility
WLOGP
2.12
MLOGP
1.87
XLogP3
2.5
Consensus LogP
2.16
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.97
Class (SILICOS-IT)
Moderately 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)
-2.56
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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