CAS RN: 177987-23-4
OLEYL TRIFLUOROMETHYL KETONE
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.20250418 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS177987-23-4
- Purity/Analytical Methods: >99.0%
177987-23-4 / (Z)-1,1,1-trifluorononadec-10-en-2-one
Basic Information
CAS
177987-23-4
Multi CAS
No
Molecular Formula
C19H33F3O
Molecular Weight
334.500000
Exact Mass
334.248350
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)C(F)(F)F
InChI
InChI=1S/C19H33F3O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(23)19(20,21)22/h9-10H,2-8,11-17H2,1H3
InChIKey
SOJGXPSMVNTNQL-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Fraction Csp3
0.84
Rotatable bonds
15
H-bond acceptors
1
Molar refractivity
90.51
TPSA
17.07
LogP / Solubility
WLOGP
7.16
MLOGP
6.31
XLogP3
8.5
Consensus LogP
7.32
Log S (ESOL)
-5.43
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.47
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.57
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
0.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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- Product Code: starshine_CAS178032-63-8
- Purity/Analytical method: >99.0%
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