CAS RN: 25577-04-2
1,6,7-Trihydroxyxanthone
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.20250326 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS25577-04-2
- Purity/Analytical Methods: >99.0%
25577-04-2 / 1,6,7-trihydroxyxanthen-9-one
Basic Information
CAS
25577-04-2
Multi CAS
No
Molecular Formula
C13H8O5
Molecular Weight
244.200000
Exact Mass
244.037173
SMILES
C1=CC(=C2C(=C1)OC3=CC(=C(C=C3C2=O)O)O)O
InChI
InChI=1S/C13H8O5/c14-7-2-1-3-10-12(7)13(17)6-4-8(15)9(16)5-11(6)18-10/h1-5,14-16H
InChIKey
SIYGDHCRSSTGRT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
14
H-bond acceptors
5
H-bond donors
3
Molar refractivity
64.98
TPSA
90.9
LogP / Solubility
WLOGP
2.06
MLOGP
1.82
XLogP3
2.4
Consensus LogP
2.09
Log S (ESOL)
-3.23
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.05
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.96
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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