CAS RN: 131401-54-2
1,4-Difluoro-5,8-dihydroxyanthraquinone
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.20250924 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS131401-54-2
- Purity/Analytical Methods: >99.0%
131401-54-2 / 1,4-difluoro-5,8-dihydroxyanthracene-9,10-dione
Basic Information
CAS
131401-54-2
Multi CAS
No
Molecular Formula
C14H6F2O4
Molecular Weight
276.190000
Exact Mass
276.023415
SMILES
C1=CC(=C2C(=C1O)C(=O)C3=C(C=CC(=C3C2=O)F)F)O
InChI
InChI=1S/C14H6F2O4/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-4,17-18H
InChIKey
KHRGWLXZUCITCL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
H-bond acceptors
4
H-bond donors
2
Molar refractivity
62.99
TPSA
74.6
LogP / Solubility
WLOGP
2.15
MLOGP
1.9
XLogP3
3.5
Consensus LogP
2.52
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
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)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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