CAS RN: 42946-19-0
9,10-Dioxo-9,10-dihydro-anthracene-2,6-dicarboxylic acid
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.20260614 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS42946-19-0
- Purity/Analytical Methods: >99.0%
42946-19-0 / 9,10-dioxoanthracene-2,6-dicarboxylic acid
Basic Information
CAS
42946-19-0
Multi CAS
No
Molecular Formula
C16H8O6
Molecular Weight
296.230000
Exact Mass
296.032088
InChI
InChI=1S/C16H8O6/c17-13-9-3-1-7(15(19)20)5-11(9)14(18)10-4-2-8(16(21)22)6-12(10)13/h1-6H,(H,19,20)(H,21,22)
InChIKey
ZUTFCPOKQHJATC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
73.67
TPSA
108.74
LogP / Solubility
WLOGP
1.86
MLOGP
1.65
XLogP3
1.9
Consensus LogP
1.8
Log S (ESOL)
-3.12
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.21
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
2.5
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