CAS RN: 159803-52-8
ETHYL FLUORENE-9-ACETATE
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.20250818 | 1g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS159803-52-8
- Purity/Analytical Methods: >99.0%
159803-52-8 / ethyl 2-(9H-fluoren-9-yl)acetate
Basic Information
CAS
159803-52-8
Multi CAS
No
Molecular Formula
C17H16O2
Molecular Weight
252.310000
Exact Mass
252.115030
SMILES
CCOC(=O)CC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C17H16O2/c1-2-19-17(18)11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h3-10,16H,2,11H2,1H3
InChIKey
KSSIOELMUJKEML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
74.97
TPSA
26.3
LogP / Solubility
WLOGP
3.75
MLOGP
3.31
XLogP3
3.5
Consensus LogP
3.52
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.6
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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