CAS RN: 14686-63-6
4-hydroxy-9H-xanthen-9-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.20250511 | 1mg | Out of stock | Inquiry |
- Product code: starshine_CAS14686-63-6
- Purity/Analytical Methods: >99.0%
14686-63-6 / 4-hydroxyxanthen-9-one
Basic Information
CAS
14686-63-6
Multi CAS
No
Molecular Formula
C13H8O3
Molecular Weight
212.200000
Exact Mass
212.047344
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(O2)C(=CC=C3)O
InChI
InChI=1S/C13H8O3/c14-10-6-3-5-9-12(15)8-4-1-2-7-11(8)16-13(9)10/h1-7,14H
InChIKey
KBQFPPUAIJHDCO-UHFFFAOYSA-N
Physical Properties
Melting Point
245 - 246 °C
Physical Description
Solid
State
Solid
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
14
H-bond acceptors
3
H-bond donors
1
Molar refractivity
61.65
TPSA
50.44
LogP / Solubility
WLOGP
2.65
MLOGP
2.34
XLogP3
3
Consensus LogP
2.66
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.24
Class (SILICOS-IT)
Poorly 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)
-2.13
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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