CAS RN: 22506-55-4
2,3-DIMETHOXYANTHRAQUINONE
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.20251128 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS22506-55-4
- Purity/Analytical Methods: >99.0%
22506-55-4 / 2,3-dimethoxyanthracene-9,10-dione
Basic Information
CAS
22506-55-4
Multi CAS
No
Molecular Formula
C16H12O4
Molecular Weight
268.260000
Exact Mass
268.073559
SMILES
COC1=C(C=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)OC
InChI
InChI=1S/C16H12O4/c1-19-13-7-11-12(8-14(13)20-2)16(18)10-6-4-3-5-9(10)15(11)17/h3-8H,1-2H3
InChIKey
SSSUEMJDMRBPMY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
72.85
TPSA
52.6
LogP / Solubility
WLOGP
2.48
MLOGP
2.19
XLogP3
2.8
Consensus LogP
2.49
Log S (ESOL)
-3.38
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)
-2.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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