CAS RN: 441764-20-1
Rubanthrone A
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.20251216 | 1mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS441764-20-1
- Purity/Analytical Methods: >99.0%
441764-20-1 / methyl 2-(1,2,3,4,6,7,8-heptahydroxy-10-oxo-9H-anthracen-9-yl)acetate
Basic Information
CAS
441764-20-1
Multi CAS
Yes
Molecular Formula
C17H14O10
Molecular Weight
378.300000
Exact Mass
378.058697
InChI
InChI=1S/C17H14O10/c1-27-7(19)3-4-8-5(2-6(18)12(21)13(8)22)11(20)10-9(4)14(23)16(25)17(26)15(10)24/h2,4,18,21-26H,3H2,1H3
InChIKey
USQRHPAGZSOQNO-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
10
H-bond donors
7
Molar refractivity
86.45
TPSA
184.98
LogP / Solubility
WLOGP
0.87
MLOGP
0.78
XLogP3
1
Consensus LogP
0.88
Log S (ESOL)
-2.93
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.08
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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