CAS RN: 64302-87-0
R162
Product Availability
Choose a grade to view its available package options.
10 package records10 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250514 | 10mg / 50mg / 250mg | Confirm by inquiry | Shandong, Shanghai | Inquiry |
- Product code: starshine_CAS64302-87-0
- Purity/Analytical Methods: >99.0%
64302-87-0 / 1-hydroxy-2-prop-2-enylanthracene-9,10-dione
Basic Information
CAS
64302-87-0
Multi CAS
Yes
Molecular Formula
C17H12O3
Molecular Weight
264.270000
Exact Mass
264.078644
InChI
InChI=1S/C17H12O3/c1-2-5-10-8-9-13-14(15(10)18)17(20)12-7-4-3-6-11(12)16(13)19/h2-4,6-9,18H,1,5H2
InChIKey
IMUBGIOLZQTIGI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
75.31
TPSA
54.37
LogP / Solubility
WLOGP
2.9
MLOGP
2.56
XLogP3
4.1
Consensus LogP
3.19
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.02
Class (SILICOS-IT)
Slightly 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)
-2.28
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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