CAS RN: 5526-38-5
4-HYDROXY-6-PHENYL-PYRAN-2-ONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260413 | 1g | Out of stock | Inquiry |
- Product code: starshine_CAS5526-38-5
- Purity/Analytical Methods: >99.0%
5526-38-5 / 4-hydroxy-6-phenylpyran-2-one
Basic Information
CAS
5526-38-5
Multi CAS
No
Molecular Formula
C11H8O3
Molecular Weight
188.180000
Exact Mass
188.047344
InChI
InChI=1S/C11H8O3/c12-9-6-10(14-11(13)7-9)8-4-2-1-3-5-8/h1-7,12H
InChIKey
UWCSWBPHENSQNW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
52.08
TPSA
50.44
LogP / Solubility
WLOGP
2.01
MLOGP
1.77
XLogP3
1.8
Consensus LogP
1.86
Log S (ESOL)
-2.84
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.56
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.67
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)
-2.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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