CAS RN: 1360544-81-5
2-(Ethoxycarbonyl)-2-fluorocyclooctanone
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.20250604 | 500mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1360544-81-5
- Purity/Analytical Methods: >99.0%
1360544-81-5 / ethyl 1-fluoro-2-oxocyclooctane-1-carboxylate
Basic Information
CAS
1360544-81-5
Multi CAS
No
Molecular Formula
C11H17FO3
Molecular Weight
216.250000
Exact Mass
216.116173
SMILES
CCOC(=O)C1(CCCCCCC1=O)F
InChI
InChI=1S/C11H17FO3/c1-2-15-10(14)11(12)8-6-4-3-5-7-9(11)13/h2-8H2,1H3
InChIKey
UYMCHAKTOBUMRZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Fraction Csp3
0.82
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
53.18
TPSA
43.37
LogP / Solubility
WLOGP
2.18
MLOGP
1.92
XLogP3
2.6
Consensus LogP
2.23
Log S (ESOL)
-2.42
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.91
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.12
Class (SILICOS-IT)
Poorly 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)
-2.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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![CAS 1360547-55-2 Propanoic acid, 2,2-dimethyl-, 1,1′-[6-[10-[bis(1-methylethyl)amino]-13-cyano-1-oxo-9,11-dioxa-2-aza-10-phosphatridec-1-yl]-2′,4,4′,5′,7,7′-hexachloro-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthene]-3′,6′-diyl] ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1360547-55-2.gif)
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