CAS RN: 54458-84-3
Anthracene, 1-methoxy- (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250529 | 50mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS54458-84-3
- Purity/Analytical Methods: >99.0%
54458-84-3 / 1-methoxyanthracene
Basic Information
CAS
54458-84-3
Multi CAS
No
Molecular Formula
C15H12O
Molecular Weight
208.250000
Exact Mass
208.088815
InChI
InChI=1S/C15H12O/c1-16-15-8-4-7-13-9-11-5-2-3-6-12(11)10-14(13)15/h2-10H,1H3
InChIKey
MVFYNVDEWCIFFY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
14
Fraction Csp3
0.07
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
68.01
TPSA
9.23
LogP / Solubility
WLOGP
4
MLOGP
3.52
XLogP3
4.9
Consensus LogP
4.14
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.16
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.46
Class (SILICOS-IT)
Slightly 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)
-1.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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