CAS RN: 15547-17-8
6-ethyl-1,2,3,4-tetrahydroanthraquinone
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.20250118 | 100mg / 250mg / 1g / 5g / 10g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS15547-17-8
- Purity/Analytical Methods: >99.0%
15547-17-8 / 6-ethyl-1,2,3,4-tetrahydroanthracene-9,10-dione
Basic Information
CAS
15547-17-8
Multi CAS
No
Molecular Formula
C16H16O2
Molecular Weight
240.300000
Exact Mass
240.115030
SMILES
CCC1=CC2=C(C=C1)C(=O)C3=C(C2=O)CCCC3
InChI
InChI=1S/C16H16O2/c1-2-10-7-8-13-14(9-10)16(18)12-6-4-3-5-11(12)15(13)17/h7-9H,2-6H2,1H3
InChIKey
PXLXSNXYTNRKFR-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
69.98
TPSA
34.14
LogP / Solubility
WLOGP
3.5
MLOGP
3.08
XLogP3
3.6
Consensus LogP
3.39
Log S (ESOL)
-3.71
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.25
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
GHS Hazard Statements
Not Classified
Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.
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