CAS RN: 81-59-4
2,3-dihydro-1,4,5,8-tetrahydroxyanthraquinone
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.20250124 | 1g / 5g / 25g | Confirm by inquiry | Shanghai, Shandong | Inquiry |
- Product code: starshine_CAS81-59-4
- Purity/Analytical Methods: >99.0%
81-59-4 / 5,8,9,10-tetrahydroxy-2,3-dihydroanthracene-1,4-dione
Basic Information
CAS
81-59-4
Multi CAS
Yes
Molecular Formula
C14H10O6
Molecular Weight
274.220000
Exact Mass
274.047738
InChI
InChI=1S/C14H10O6/c15-5-1-2-6(16)10-9(5)13(19)11-7(17)3-4-8(18)12(11)14(10)20/h1-2,15-16,19-20H,3-4H2
InChIKey
QJQPINQAQJTYMH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
10
Fraction Csp3
0.14
H-bond acceptors
6
H-bond donors
4
Molar refractivity
68.5
TPSA
115.06
LogP / Solubility
WLOGP
1.82
MLOGP
1.61
XLogP3
2
Consensus LogP
1.81
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately 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)
-3.1
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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