CAS RN: 28955-30-8
Cassiachromone
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.20250319 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS28955-30-8
- Purity/Analytical Methods: >99.0%
28955-30-8 / 7-hydroxy-2-methyl-5-(2-oxopropyl)chromen-4-one
Basic Information
CAS
28955-30-8
Multi CAS
No
Molecular Formula
C13H12O4
Molecular Weight
232.230000
Exact Mass
232.073559
InChI
InChI=1S/C13H12O4/c1-7(14)3-9-5-10(15)6-12-13(9)11(16)4-8(2)17-12/h4-6,15H,3H2,1-2H3
InChIKey
YMCXDPKFRCHLPK-UHFFFAOYSA-N
Physical Properties
Melting Point
210 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.23
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.27
TPSA
67.51
LogP / Solubility
WLOGP
1.94
MLOGP
1.71
XLogP3
1.2
Consensus LogP
1.62
Log S (ESOL)
-2.8
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.86
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.02
Class (SILICOS-IT)
Poorly 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)
-2.76
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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