CAS RN: 3722-52-9
3-methoxyxanthen-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 | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250923 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS3722-52-9
- Purity/Analytical Methods: >99.0%
3722-52-9 / 3-methoxyxanthen-9-one
Basic Information
CAS
3722-52-9
Multi CAS
Yes
Molecular Formula
C14H10O3
Molecular Weight
226.230000
Exact Mass
226.062994
InChI
InChI=1S/C14H10O3/c1-16-9-6-7-11-13(8-9)17-12-5-3-2-4-10(12)14(11)15/h2-8H,1H3
InChIKey
HGWDKWJYTURSFE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
14
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
66.54
TPSA
39.44
LogP / Solubility
WLOGP
2.95
MLOGP
2.6
XLogP3
3.6
Consensus LogP
3.05
Log S (ESOL)
-3.65
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.7
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
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
