CAS RN: 56070-89-4
6-(3,4-DIHYDROXYSTYRL)-4-HYDROXY-2-PYRONE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250127 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS56070-89-4
- Purity/Analytical Methods: >99.0%
56070-89-4 / 6-[2-(3,4-dimethoxyphenyl)ethenyl]-4-methoxypyran-2-one
Basic Information
CAS
56070-89-4
Multi CAS
Yes
Molecular Formula
C16H16O5
Molecular Weight
288.290000
Exact Mass
288.099774
InChI
InChI=1S/C16H16O5/c1-18-13-9-12(21-16(17)10-13)6-4-11-5-7-14(19-2)15(8-11)20-3/h4-10H,1-3H3/b6-4+
InChIKey
GBJRDULCMRSYSL-GQCTYLIASA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.19
Rotatable bonds
5
H-bond acceptors
5
Molar refractivity
80
TPSA
57.9
LogP / Solubility
WLOGP
2.84
MLOGP
2.51
XLogP3
2.7
Consensus LogP
2.68
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.97
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.49
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)
-2.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
